 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_LCPBE_augccpVDZ.in
 Output=16_3carene_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/16_3carene_STD/Gau-13121.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13123.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=16_3carene_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026000
 0000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=260000000,108=260000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "16_3carene_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:              29.2 elap:               4.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  3.57D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:13 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636827066 LenY=  5636671389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -389.391343071559    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -389.391343071559     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-02 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.46D-02 MaxDP=1.99D+00              OVMax= 1.57D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.95D-02    CP:  1.45D+00
 E= -389.402189923969     Delta-E=       -0.010846852410 Rises=F Damp=F
 DIIS: error= 8.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -389.402189923969     IErMin= 2 ErrMin= 8.24D-04
 ErrMax= 8.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-04 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.24D-03
 Coeff-Com: -0.995D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.987D-02 0.101D+01
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=3.99D-03 MaxDP=3.45D-01 DE=-1.08D-02 OVMax= 3.75D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.13D-03    CP:  1.52D+00  1.15D+00
 E= -389.402455110073     Delta-E=       -0.000265186104 Rises=F Damp=F
 DIIS: error= 4.72D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -389.402455110073     IErMin= 3 ErrMin= 4.72D-04
 ErrMax= 4.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-04 BMatP= 3.06D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.72D-03
 Coeff-Com: -0.224D-01 0.406D+00 0.616D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.223D-01 0.404D+00 0.618D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=5.24D-04 MaxDP=4.08D-02 DE=-2.65D-04 OVMax= 2.27D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.16D-04    CP:  1.53D+00  1.17D+00  1.02D+00
 E= -389.402604217850     Delta-E=       -0.000149107777 Rises=F Damp=F
 DIIS: error= 9.69D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -389.402604217850     IErMin= 4 ErrMin= 9.69D-05
 ErrMax= 9.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-06 BMatP= 1.46D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.355D-02-0.256D-01 0.136D+00 0.893D+00
 Coeff:     -0.355D-02-0.256D-01 0.136D+00 0.893D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.83D-04 MaxDP=1.65D-02 DE=-1.49D-04 OVMax= 5.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.12D-05    CP:  1.54D+00  1.17D+00  1.09D+00  1.05D+00
 E= -389.402612004231     Delta-E=       -0.000007786381 Rises=F Damp=F
 DIIS: error= 2.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -389.402612004231     IErMin= 5 ErrMin= 2.33D-05
 ErrMax= 2.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-07 BMatP= 6.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.400D-03-0.390D-01 0.109D-01 0.336D+00 0.692D+00
 Coeff:      0.400D-03-0.390D-01 0.109D-01 0.336D+00 0.692D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.35D-05 MaxDP=1.31D-03 DE=-7.79D-06 OVMax= 2.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.42D-05    CP:  1.54D+00  1.17D+00  1.10D+00  1.08D+00  1.02D+00
 E= -389.402612783664     Delta-E=       -0.000000779433 Rises=F Damp=F
 DIIS: error= 5.34D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -389.402612783664     IErMin= 6 ErrMin= 5.34D-06
 ErrMax= 5.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-08 BMatP= 7.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.448D-03-0.885D-02-0.707D-02 0.218D-01 0.205D+00 0.788D+00
 Coeff:      0.448D-03-0.885D-02-0.707D-02 0.218D-01 0.205D+00 0.788D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=6.80D-06 MaxDP=3.71D-04 DE=-7.79D-07 OVMax= 1.10D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.53D-06    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.07D+00
                    CP:  1.04D+00
 E= -389.402612837341     Delta-E=       -0.000000053677 Rises=F Damp=F
 DIIS: error= 1.96D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -389.402612837341     IErMin= 7 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-09 BMatP= 4.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-03-0.711D-03-0.305D-02-0.147D-01 0.260D-01 0.290D+00
 Coeff-Com:  0.702D+00
 Coeff:      0.130D-03-0.711D-03-0.305D-02-0.147D-01 0.260D-01 0.290D+00
 Coeff:      0.702D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.94D-06 MaxDP=2.04D-04 DE=-5.37D-08 OVMax= 3.48D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.66D-06    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.08D+00
                    CP:  1.09D+00  1.15D+00
 E= -389.402612843061     Delta-E=       -0.000000005719 Rises=F Damp=F
 DIIS: error= 6.64D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -389.402612843061     IErMin= 8 ErrMin= 6.64D-07
 ErrMax= 6.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.84D-10 BMatP= 5.28D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-04 0.127D-02-0.148D-03-0.113D-01-0.271D-01-0.586D-02
 Coeff-Com:  0.307D+00 0.736D+00
 Coeff:     -0.231D-04 0.127D-02-0.148D-03-0.113D-01-0.271D-01-0.586D-02
 Coeff:      0.307D+00 0.736D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=6.09D-05 DE=-5.72D-09 OVMax= 1.76D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.75D-07    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.08D+00
                    CP:  1.11D+00  1.25D+00  1.18D+00
 E= -389.402612844312     Delta-E=       -0.000000001251 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -389.402612844312     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-11 BMatP= 8.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-04 0.289D-03 0.137D-03-0.113D-02-0.685D-02-0.158D-01
 Coeff-Com:  0.913D-02 0.140D+00 0.875D+00
 Coeff:     -0.117D-04 0.289D-03 0.137D-03-0.113D-02-0.685D-02-0.158D-01
 Coeff:      0.913D-02 0.140D+00 0.875D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.84D-07 MaxDP=1.65D-05 DE=-1.25D-09 OVMax= 3.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.08D+00
                    CP:  1.11D+00  1.28D+00  1.26D+00  1.11D+00
 E= -389.402612844336     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 6.27D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -389.402612844336     IErMin=10 ErrMin= 6.27D-08
 ErrMax= 6.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-12 BMatP= 2.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-05-0.489D-04 0.536D-04 0.908D-03 0.753D-03-0.371D-02
 Coeff-Com: -0.331D-01-0.336D-01 0.272D+00 0.796D+00
 Coeff:     -0.118D-05-0.489D-04 0.536D-04 0.908D-03 0.753D-03-0.371D-02
 Coeff:     -0.331D-01-0.336D-01 0.272D+00 0.796D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=9.14D-06 DE=-2.41D-11 OVMax= 1.54D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.60D-08    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.08D+00
                    CP:  1.11D+00  1.29D+00  1.28D+00  1.16D+00  1.07D+00
 E= -389.402612844318     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 1.68D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -389.402612844336     IErMin=11 ErrMin= 1.68D-08
 ErrMax= 1.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-13 BMatP= 4.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.934D-06-0.495D-04 0.122D-05 0.421D-03 0.100D-02 0.682D-03
 Coeff-Com: -0.126D-01-0.257D-01-0.173D-01 0.254D+00 0.800D+00
 Coeff:      0.934D-06-0.495D-04 0.122D-05 0.421D-03 0.100D-02 0.682D-03
 Coeff:     -0.126D-01-0.257D-01-0.173D-01 0.254D+00 0.800D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.81D-08 MaxDP=2.15D-06 DE= 1.80D-11 OVMax= 4.81D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.54D+00  1.17D+00  1.10D+00  1.09D+00  1.08D+00
                    CP:  1.11D+00  1.29D+00  1.28D+00  1.16D+00  1.13D+00
                    CP:  1.09D+00
 E= -389.402612844339     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.35D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -389.402612844339     IErMin=12 ErrMin= 4.35D-09
 ErrMax= 4.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-14 BMatP= 4.78D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-06 0.214D-05-0.315D-05-0.534D-04-0.415D-04 0.306D-03
 Coeff-Com:  0.198D-02 0.286D-02-0.211D-01-0.528D-01-0.129D-02 0.107D+01
 Coeff:      0.139D-06 0.214D-05-0.315D-05-0.534D-04-0.415D-04 0.306D-03
 Coeff:      0.198D-02 0.286D-02-0.211D-01-0.528D-01-0.129D-02 0.107D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=9.47D-09 MaxDP=4.90D-07 DE=-2.06D-11 OVMax= 1.55D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -389.402612844     A.U. after   12 cycles
            NFock= 12  Conv=0.95D-08     -V/T= 2.0051
 KE= 3.874271484953D+02 PE=-2.006206684627D+03 EE= 6.778451578482D+02
 Leave Link  502 at Fri Jul 16 19:23:41 2021, MaxMem=  5637144576 cpu:            4505.2 elap:             567.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.12657750D+03

 Leave Link  801 at Fri Jul 16 19:23:41 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.67D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.82D-01 5.62D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 4.41D-02 4.30D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 3.16D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.82D-04 1.96D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.28D-05 4.25D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 6.06D-07 1.35D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.60D-08 1.71D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 3.77D-10 2.95D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 8.02D-12 3.93D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 2.08D-13 4.89D-08.
      2 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 1.42D-14 9.14D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.134510D+03
      2  0.428152D+01  0.122653D+03
      3  0.376575D+00  0.243681D+01  0.103379D+03
 Isotropic polarizability for W=    0.085645      120.18 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.201739D+02 -0.504357D+02  0.733536D+01
      2   0.727679D+00  0.486690D+02 -0.135266D+02
      3   0.194462D+02  0.176672D+01  0.619128D+01
      4  -0.455611D+02 -0.484250D+02 -0.218028D+02
      5   0.228286D+02 -0.197842D+02  0.343421D+02
      6  -0.102653D+02  0.529704D+01 -0.206513D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.104181D+01  0.740941D+00  0.347413D+01
      2   0.874672D+01 -0.808474D+01  0.106271D+02
      3   0.183634D+02  0.284067D+02  0.663655D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.201868D+01  0.188237D+02  0.224180D+02
      2  -0.154932D+02 -0.115375D+02  0.148959D+02
      3   0.487462D+01  0.491527D+02  0.951882D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.219422D+00 -0.195561D+01 -0.204780D+01
      2  -0.195561D+01  0.954808D+00 -0.175237D+01
      3  -0.204780D+01 -0.175237D+01 -0.114176D+01
 OR G Eigenvalues:    -4.1124     1.2778     2.4282  Iso=     0.1355
 Eigenvectors:
   (1)   0.582980   0.457251   0.671607
   (2)  -0.607604  -0.303418   0.733999
   (3)  -0.539400   0.835978  -0.100941
 w=    0.085645 a.u., Optical Rotation Beta=      0.1355 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       47.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 2.66D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.78D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.78D-02 1.94D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 2.42D-03 6.51D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 3.38D-05 5.72D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 7.52D-07 1.16D-04.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 8.99D-09 1.29D-05.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 9.63D-11 8.49D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 7.33D-13 9.06D-08.
     17 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 8.56D-15 9.57D-09.
      7 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 3.33D-15 6.51D-09.
      3 vectors produced by pass 10 Test12= 3.55D-14 2.78D-09 XBig12= 3.29D-15 5.22D-09.
      1 vectors produced by pass 11 Test12= 3.55D-14 2.78D-09 XBig12= 8.63D-16 3.27D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   268 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 7.96D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 7.96D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134510D+03  0.428152D+01  0.376575D+00
      2   0.428152D+01  0.122653D+03  0.243681D+01
      3   0.376575D+00  0.243681D+01  0.103379D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.104181D+01  0.740941D+00  0.347413D+01
      2   0.874672D+01 -0.808474D+01  0.106271D+02
      3   0.183634D+02  0.284067D+02  0.663655D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.201739D+02 -0.504357D+02  0.733536D+01
      2   0.727679D+00  0.486690D+02 -0.135266D+02
      3   0.194462D+02  0.176672D+01  0.619128D+01
      4  -0.455611D+02 -0.484250D+02 -0.218028D+02
      5   0.228286D+02 -0.197842D+02  0.343421D+02
      6  -0.102653D+02  0.529704D+01 -0.206513D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295388D+01 -0.600981D+00 -0.174677D+01  0.151035D+00 -0.199533D+01
      2  -0.600981D+00 -0.454361D+00 -0.117367D+01 -0.199533D+01 -0.425343D+01
      3  -0.174677D+01 -0.117367D+01 -0.423468D+01 -0.158848D-01  0.280867D-01
                 6             7             8             9            10 
      1  -0.158848D-01 -0.356423D+01 -0.235201D+01 -0.401715D+01 -0.239084D+01
      2   0.280867D-01 -0.235201D+01  0.187492D+01  0.103552D+01  0.122709D+01
      3   0.141692D+01 -0.401715D+01  0.103552D+01  0.216240D+00 -0.316290D-01
                11            12            13            14            15 
      1   0.122709D+01 -0.316290D-01  0.436090D+00 -0.193782D+01  0.120529D+01
      2  -0.124425D+01  0.294021D+01 -0.193782D+01  0.508042D+01  0.610501D+00
      3   0.294021D+01 -0.276160D+01  0.120529D+01  0.610501D+00  0.660300D+00
                16            17            18            19            20 
      1  -0.269881D+00  0.453748D+01 -0.220290D+01  0.151294D+00 -0.962405D+00
      2   0.453748D+01  0.700517D+00  0.105903D+01 -0.962405D+00 -0.104679D+01
      3  -0.220290D+01  0.105903D+01  0.684558D-01  0.542478D+00  0.116281D+01
                21            22            23            24            25 
      1   0.542478D+00 -0.840523D+00  0.301860D+00  0.989060D+00  0.976417D+00
      2   0.116281D+01  0.301860D+00  0.976395D+01 -0.245673D+00  0.934422D+00
      3   0.165184D+01  0.989060D+00 -0.245673D+00  0.254038D+01  0.303723D+01
                26            27            28            29            30 
      1   0.934422D+00  0.303723D+01 -0.543701D+01 -0.303073D+01 -0.375855D+00
      2  -0.746367D+00  0.478796D+01 -0.303073D+01 -0.342699D+01 -0.845403D+00
      3   0.478796D+01  0.350768D+01 -0.375855D+00 -0.845403D+00 -0.112916D+01
                31            32            33            34            35 
      1  -0.413053D+01 -0.594195D+01 -0.192875D+01 -0.103952D+01 -0.148031D+01
      2  -0.594195D+01 -0.176840D+02 -0.793218D+00 -0.148031D+01 -0.172526D+01
      3  -0.192875D+01 -0.793218D+00 -0.361821D+01 -0.262272D+01 -0.301425D+01
                36            37            38            39            40 
      1  -0.262272D+01  0.351435D+01  0.939236D+00  0.798172D+00 -0.101637D+00
      2  -0.301425D+01  0.939236D+00  0.440448D+01  0.262606D+01  0.604613D+01
      3  -0.157280D+01  0.798172D+00  0.262606D+01  0.197456D+01  0.211375D+01
                41            42            43            44            45 
      1   0.604613D+01  0.211375D+01  0.125063D+01  0.239473D+01  0.404686D+01
      2   0.502415D+01 -0.292035D+01  0.239473D+01 -0.325293D+01  0.411170D+01
      3  -0.292035D+01  0.251545D+01  0.404686D+01  0.411170D+01  0.125792D+01
                46            47            48            49            50 
      1   0.558311D+01  0.208812D+01 -0.438389D+00  0.379682D+01  0.694142D+01
      2   0.208812D+01  0.680418D+01  0.262688D+01  0.694142D+01  0.144365D+02
      3  -0.438389D+00  0.262688D+01  0.153398D+01  0.247274D+01 -0.689806D+00
                51            52            53            54            55 
      1   0.247274D+01  0.121526D+00  0.314999D+01  0.176056D+01 -0.154290D+01
      2  -0.689806D+00  0.314999D+01 -0.115764D+01  0.342810D+01 -0.167224D+01
      3   0.270914D+01  0.176056D+01  0.342810D+01  0.188044D+01 -0.571480D+00
                56            57            58            59            60 
      1  -0.167224D+01 -0.571480D+00 -0.181006D+01 -0.360507D+01 -0.158392D+01
      2  -0.355627D+01 -0.226381D+01 -0.360507D+01 -0.878196D+01  0.108182D+01
      3  -0.226381D+01 -0.674718D+00 -0.158392D+01  0.108182D+01 -0.278029D+01
                61            62            63            64            65 
      1  -0.663957D+00 -0.211388D+01 -0.120857D+01  0.350036D+01 -0.282046D-01
      2  -0.211388D+01  0.130162D+01 -0.562997D+01 -0.282046D-01  0.131973D+01
      3  -0.120857D+01 -0.562997D+01 -0.173511D+01  0.369796D+01 -0.651827D+00
                66            67            68            69            70 
      1   0.369796D+01  0.103120D+00  0.499648D+01 -0.105775D+00  0.632020D+01
      2  -0.651827D+00  0.499648D+01 -0.392737D+01  0.240745D+01 -0.702097D+00
      3   0.405031D+01 -0.105775D+00  0.240745D+01  0.139427D+00  0.466384D+01
                71            72            73            74            75 
      1  -0.702097D+00  0.466384D+01  0.190407D+01 -0.127284D+01 -0.143027D+01
      2   0.205380D+01  0.905827D-01 -0.127284D+01  0.897392D+00  0.919153D+00
      3   0.905827D-01 -0.571908D-01 -0.143027D+01  0.919153D+00  0.257873D+01
                76            77            78            79            80 
      1  -0.136475D+01  0.539407D+00  0.550787D+00 -0.196061D+01  0.948772D+00
      2   0.539407D+00 -0.167713D+01 -0.198814D+01  0.948772D+00 -0.225023D+01
      3   0.550787D+00 -0.198814D+01 -0.276159D+01  0.202296D+01 -0.275863D+01
                81            82            83            84            85 
      1   0.202296D+01  0.371112D+01  0.172325D+01 -0.179729D+01  0.169143D+01
      2  -0.275863D+01  0.172325D+01  0.192103D+01 -0.174941D+01  0.127613D+01
      3  -0.615516D+01 -0.179729D+01 -0.174941D+01  0.248601D+01 -0.129262D+01
                86            87            88            89            90 
      1   0.127613D+01 -0.129262D+01 -0.245804D+01 -0.171995D+01  0.211965D+01
      2   0.325574D+01 -0.197011D+01 -0.171995D+01 -0.222490D+01  0.204584D+01
      3  -0.197011D+01  0.177202D+01  0.211965D+01  0.204584D+01 -0.326153D+01
                91            92            93            94            95 
      1  -0.443261D+01 -0.183075D+01 -0.206294D+01 -0.261356D+01 -0.284545D+01
      2  -0.183075D+01 -0.149611D+01 -0.113611D+01 -0.284545D+01 -0.300138D+01
      3  -0.206294D+01 -0.113611D+01 -0.183030D+01 -0.111667D+01 -0.103945D+01
                96            97            98            99           100 
      1  -0.111667D+01 -0.529053D+01 -0.275467D+01 -0.326076D+01 -0.580683D+01
      2  -0.103945D+01 -0.275467D+01 -0.230346D+01 -0.265613D+01  0.180114D+01
      3  -0.171266D+01 -0.326076D+01 -0.265613D+01 -0.432152D+01  0.148314D+01
               101           102           103           104           105 
      1   0.180114D+01  0.148314D+01  0.496453D+01 -0.193730D+01 -0.142710D+01
      2  -0.140163D+01 -0.659757D+00 -0.193730D+01  0.194953D+01  0.910533D+00
      3  -0.659757D+00 -0.137628D+01 -0.142710D+01  0.910533D+00  0.110188D+01
               106           107           108           109           110 
      1   0.247370D+01 -0.799007D+00 -0.190441D+01 -0.455598D+00 -0.730851D+00
      2  -0.799007D+00  0.963419D+00  0.394594D+00 -0.730851D+00  0.866479D-01
      3  -0.190441D+01  0.394594D+00  0.136368D+01  0.383740D+00 -0.314640D+00
               111           112           113           114           115 
      1   0.383740D+00 -0.313413D+01 -0.303076D+01  0.820048D+00  0.191833D+01
      2  -0.314640D+00 -0.303076D+01 -0.669668D+01  0.304713D+01  0.108897D+01
      3  -0.210326D+00  0.820048D+00  0.304713D+01 -0.256223D+01 -0.177959D+01
               116           117           118           119           120 
      1   0.108897D+01 -0.177959D+01  0.174847D+01  0.130186D+01  0.120580D+01
      2   0.378714D+01 -0.317997D+01  0.130186D+01  0.191124D+01  0.126030D+01
      3  -0.317997D+01  0.290327D+01  0.120580D+01  0.126030D+01  0.113977D+01
               121           122           123           124           125 
      1   0.140977D+01  0.175681D+01  0.688348D+00  0.266723D+01  0.149337D+01
      2   0.175681D+01  0.588166D+01  0.211659D+01  0.149337D+01  0.480330D+01
      3   0.688348D+00  0.211659D+01  0.195306D+01  0.134809D+01  0.415181D+01
               126           127           128           129           130 
      1   0.134809D+01 -0.380181D+00  0.110978D+01 -0.610931D+00  0.185441D+01
      2   0.415181D+01  0.110978D+01 -0.977123D+00  0.641987D+00  0.689821D+00
      3   0.433875D+01 -0.610931D+00  0.641987D+00 -0.101488D+00  0.158138D+00
               131           132           133           134           135 
      1   0.689821D+00  0.158138D+00 -0.144514D+01  0.293099D+00  0.275529D+00
      2   0.102519D+02 -0.321915D+01  0.293099D+00 -0.518121D+01  0.366366D+01
      3  -0.321915D+01  0.208571D+01  0.275529D+00  0.366366D+01 -0.227095D+01
               136           137           138           139           140 
      1   0.528354D+01 -0.192750D+01 -0.228127D+01 -0.225338D+01 -0.293342D+01
      2  -0.192750D+01 -0.182146D+01 -0.772865D+00 -0.293342D+01  0.466393D+01
      3  -0.228127D+01 -0.772865D+00 -0.275088D+01 -0.807525D+00 -0.460382D+01
               141           142           143           144           145 
      1  -0.807525D+00 -0.319488D+01 -0.412098D+00 -0.327712D+01 -0.101522D+01
      2  -0.460382D+01 -0.412098D+00 -0.343903D+01 -0.115375D+01 -0.150918D+01
      3  -0.158108D+01 -0.327712D+01 -0.115375D+01 -0.438384D+00 -0.271074D+01
               146           147           148           149           150 
      1  -0.150918D+01 -0.271074D+01 -0.186905D+01 -0.541673D+01 -0.643806D+00
      2  -0.329452D+01 -0.446281D+00 -0.541673D+01  0.511153D+01 -0.233722D+01
      3  -0.446281D+00 -0.252658D+01 -0.643806D+00 -0.233722D+01 -0.168824D+01
               151           152           153           154           155 
      1  -0.298610D+01 -0.678825D+00 -0.363014D+01 -0.725166D+01  0.104220D+01
      2  -0.678825D+00 -0.266635D+01 -0.159763D+01  0.104220D+01 -0.784319D+00
      3  -0.363014D+01 -0.159763D+01  0.496206D+01  0.748969D+00  0.401097D+00
               156           157           158           159           160 
      1   0.748969D+00  0.141516D+01 -0.291631D+00  0.229511D+00  0.973913D+00
      2   0.401097D+00 -0.291631D+00 -0.241719D+00  0.623318D+00  0.138049D+00
      3  -0.247856D+01  0.229511D+00  0.623318D+00  0.701019D+00 -0.108295D+01
               161           162           163           164           165 
      1   0.138049D+00 -0.108295D+01  0.248570D+01  0.118924D+01  0.248486D+01
      2   0.619638D+00  0.325614D+00  0.118924D+01  0.129572D+01  0.964275D+00
      3   0.325614D+00  0.998053D+00  0.248486D+01  0.964275D+00  0.346550D+01
               166           167           168           169           170 
      1   0.207389D+01  0.145400D+01  0.162181D+01  0.196850D+01  0.770462D+00
      2   0.145400D+01  0.146390D+01  0.226219D+01  0.770462D+00  0.152835D+01
      3   0.162181D+01  0.226219D+01  0.362500D+01  0.245016D+01  0.167071D+01
               171           172           173           174           175 
      1   0.245016D+01  0.661053D+00 -0.100165D+01  0.104761D+01 -0.157503D+01
      2   0.167071D+01 -0.100165D+01  0.129543D+01 -0.492846D+00  0.186138D+01
      3   0.508597D+01  0.104761D+01 -0.492846D+00  0.118360D+01 -0.850718D+00
               176           177           178           179           180 
      1   0.186138D+01 -0.850718D+00  0.632863D+00 -0.313854D+00  0.859458D+00
      2  -0.665719D+01  0.372415D+01 -0.313854D+00  0.186259D+01 -0.159137D+01
      3   0.372415D+01 -0.337172D+01  0.859458D+00 -0.159137D+01  0.213515D+01
               181           182           183           184           185 
      1   0.134648D+01  0.337300D+00 -0.130376D+01  0.851692D+00  0.903684D+00
      2   0.337300D+00  0.532456D+00  0.113380D-01  0.903684D+00 -0.185078D+00
      3  -0.130376D+01  0.113380D-01  0.152321D+01 -0.212218D+00 -0.516389D+00
               186           187           188           189           190 
      1  -0.212218D+00 -0.348075D+01  0.132776D+00  0.306566D+01  0.241487D+01
      2  -0.516389D+00  0.132776D+00 -0.951689D+00  0.488303D+00 -0.160541D+01
      3   0.868711D+00  0.306566D+01  0.488303D+00 -0.675213D+01  0.586049D+00
               191           192           193           194           195 
      1  -0.160541D+01  0.586049D+00 -0.444062D+01  0.437809D+01 -0.388630D+00
      2   0.175105D+01 -0.239833D+00  0.437809D+01 -0.741318D+01  0.121706D+01
      3  -0.239833D+00  0.467932D+00 -0.388630D+00  0.121706D+01 -0.128330D+01
               196           197           198           199           200 
      1   0.158226D+01 -0.689599D+00  0.116666D+01  0.617057D+01  0.183389D+01
      2  -0.689599D+00  0.143190D+01 -0.903486D+00  0.183389D+01  0.162432D+01
      3   0.116666D+01 -0.903486D+00  0.373870D+00  0.201365D+01  0.763278D+00
               201           202           203           204           205 
      1   0.201365D+01  0.470432D+01  0.267860D+01  0.130586D+01  0.438599D+01
      2   0.763278D+00  0.267860D+01  0.176932D+01  0.130584D+01  0.103424D+01
      3   0.158761D+01  0.130586D+01  0.130584D+01  0.165207D+01  0.241972D+01
               206           207           208           209           210 
      1   0.103424D+01  0.241972D+01  0.116479D+00 -0.881493D+00  0.387244D+00
      2   0.151387D+01  0.106302D+01 -0.881493D+00 -0.130390D-01 -0.374924D+00
      3   0.106302D+01  0.181179D+01  0.387244D+00 -0.374924D+00 -0.196174D+00
               211           212           213           214           215 
      1  -0.178552D+01 -0.549208D+00  0.653725D-01  0.163536D+01  0.203264D+00
      2  -0.549208D+00 -0.915497D+01  0.149448D+01  0.203264D+00  0.421716D+01
      3   0.653725D-01  0.149448D+01 -0.144431D+01 -0.555376D+00 -0.242564D+01
               216           217           218           219           220 
      1  -0.555376D+00 -0.191595D+01 -0.943878D+00 -0.174594D+01 -0.686691D+00
      2  -0.242564D+01 -0.943878D+00 -0.174113D+01 -0.170142D+01 -0.992815D+00
      3   0.947974D+00 -0.174594D+01 -0.170142D+01 -0.201558D+01 -0.794101D+00
               221           222           223           224           225 
      1  -0.992815D+00 -0.794101D+00 -0.273049D+01 -0.139786D+01 -0.215899D+01
      2  -0.381879D+01 -0.217487D+01 -0.139786D+01 -0.305142D+01 -0.414281D+01
      3  -0.217487D+01 -0.220217D+01 -0.215899D+01 -0.414281D+01 -0.636916D+01
               226           227           228           229           230 
      1  -0.500878D+01  0.340499D+01  0.172760D+01  0.315323D+01 -0.234633D+01
      2   0.340499D+01 -0.258571D+01 -0.149458D+01 -0.234633D+01  0.484028D+01
      3   0.172760D+01 -0.149458D+01 -0.135672D+01 -0.105299D+01  0.166904D+01
               231           232           233           234 
      1  -0.105299D+01  0.217721D+01 -0.170549D+01 -0.153574D+01
      2   0.166904D+01 -0.170549D+01  0.229227D+01  0.737189D+00
      3   0.126471D+01 -0.153574D+01  0.737189D+00  0.108263D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.623299D+00  0.739765D+00 -0.108473D+01  0.109735D+01  0.100202D+02
      2  -0.344868D+01 -0.278345D+00 -0.367656D+01 -0.662452D+00 -0.411771D+01
      3   0.831053D+00 -0.294220D+01  0.185457D+01  0.748611D+01  0.865870D+01
                 6             7             8             9            10 
      1  -0.100695D+01  0.162019D+01  0.192485D+01  0.548824D+00 -0.133069D+01
      2  -0.198248D+00 -0.131491D+02 -0.316468D+01 -0.569996D+01 -0.180041D+01
      3   0.315909D+01  0.626178D+01 -0.368291D+00  0.384899D+01 -0.179309D+01
                11            12            13            14            15 
      1  -0.351877D+01 -0.384169D+00 -0.182099D+01 -0.961382D+01 -0.403152D+01
      2   0.425866D+01 -0.133784D+01  0.262159D+01  0.546069D+00  0.206926D+01
      3  -0.463989D+01 -0.349106D+01  0.801500D+01 -0.124041D+02  0.219581D+01
                16            17            18            19            20 
      1  -0.439895D+01  0.162808D+01 -0.224004D+01  0.135629D+01  0.380090D+01
      2  -0.636887D+01  0.656552D+01 -0.606189D+00 -0.234872D+01 -0.701279D+00
      3  -0.704420D+01  0.324902D+01 -0.506464D+01 -0.139039D+01 -0.466631D+01
                21            22            23            24            25 
      1   0.223095D+01  0.202280D+01 -0.988777D+01  0.461953D+01  0.444171D+01
      2   0.462324D+00 -0.151856D+01 -0.828354D+00 -0.395876D+01 -0.593068D+01
      3   0.379178D+00  0.395399D+01  0.148162D+02 -0.861841D+00  0.181419D+01
                26            27            28            29            30 
      1   0.174895D+02  0.376027D+01 -0.371085D-01 -0.477401D+00  0.259451D+00
      2  -0.491054D+01 -0.195833D+01 -0.140630D+01  0.563463D+01  0.259791D+01
      3  -0.298643D+01  0.298970D+01 -0.122111D+02 -0.190404D+02 -0.473930D+01
                31            32            33            34            35 
      1   0.832741D-01 -0.382613D+01  0.263945D+00  0.119810D+01  0.107645D+02
      2   0.723028D+01  0.375983D+01  0.971056D+01 -0.341239D+01  0.694272D+01
      3  -0.146270D+02 -0.432744D+02 -0.291694D+01 -0.715254D+01 -0.465601D+01
                36            37            38            39            40 
      1   0.228601D+01  0.164162D+01  0.461809D+01  0.405325D+01  0.353625D+01
      2   0.554028D+01 -0.446570D+01 -0.112724D+02 -0.495724D+01 -0.771847D+01
      3  -0.777698D+01 -0.213561D+01  0.125556D+02  0.900213D+01  0.255205D+02
                41            42            43            44            45 
      1  -0.318342D+01  0.177264D+01  0.851260D+01  0.911638D+01  0.256403D+01
      2   0.100469D+02 -0.963695D+01 -0.197909D+02 -0.191674D+02 -0.587262D+01
      3   0.141905D+02 -0.133001D+02  0.653560D+01 -0.159903D+02  0.116686D+02
                46            47            48            49            50 
      1  -0.358343D+00 -0.202697D+01 -0.146806D+01 -0.110788D+01  0.532425D+01
      2  -0.246320D+01 -0.435019D+01 -0.340556D+01 -0.300700D+01 -0.118373D+01
      3   0.554736D+01  0.921319D+01  0.443134D+01  0.199419D+02  0.463218D+02
                51            52            53            54            55 
      1  -0.343344D+01  0.392745D+00  0.120081D+01 -0.103533D+01  0.153174D+01
      2  -0.753371D+01 -0.133896D+02 -0.106817D+02 -0.408325D+01 -0.205119D+01
      3   0.291468D+01  0.628506D+01  0.296561D+01  0.970749D+01 -0.459447D+01
                56            57            58            59            60 
      1   0.617456D+01  0.195952D+01  0.334024D+01 -0.512315D+01  0.628373D+01
      2   0.739162D+00  0.143513D+01  0.750488D+00  0.712904D+00  0.410022D+00
      3  -0.101987D+02 -0.311366D+01 -0.334123D+01 -0.134562D+02 -0.271006D+01
                61            62            63            64            65 
      1   0.577654D+01  0.219479D+02  0.635945D+01  0.204149D+01  0.292174D+01
      2  -0.280639D+01 -0.178481D+01  0.616171D+00  0.135471D+02 -0.298995D+01
      3  -0.552148D+01 -0.540578D+01 -0.517985D+01 -0.155228D+00 -0.868957D+01
                66            67            68            69            70 
      1   0.172035D+01 -0.431348D+01  0.113119D+01 -0.542216D+01  0.415129D+00
      2   0.139427D+02 -0.129148D+00  0.660742D+01  0.119153D+01  0.402809D+01
      3   0.609164D+00 -0.656905D+01  0.773107D+01 -0.519090D+01 -0.577627D+00
                71            72            73            74            75 
      1   0.585680D+01 -0.385006D+00  0.501140D+00 -0.801231D+00  0.129263D+01
      2   0.886718D+00 -0.163711D+01  0.291208D+01 -0.984617D+00  0.152670D+01
      3  -0.552627D+01 -0.189511D+01 -0.613809D+00 -0.136648D+01  0.270835D+00
                76            77            78            79            80 
      1  -0.132978D-01  0.123756D+01 -0.892897D+00  0.707437D+00  0.364866D+01
      2  -0.201420D+01 -0.110778D+01 -0.193055D+01 -0.427191D+01 -0.585682D+00
      3   0.315127D+01  0.616964D+00  0.125538D+01  0.213733D+01  0.228731D+01
                81            82            83            84            85 
      1  -0.159646D+01  0.115485D+01 -0.395815D+00 -0.202593D+01  0.448803D+00
      2  -0.167696D+01  0.237205D+01 -0.757326D+00  0.299448D+01  0.280928D-01
      3   0.492648D+00  0.373520D+01 -0.225650D+01 -0.123805D+00  0.332119D+01
                86            87            88            89            90 
      1  -0.156774D+01 -0.186425D+01 -0.144223D+01  0.175183D+01  0.288223D+01
      2  -0.100871D+01  0.125554D+01 -0.244786D+01  0.427614D-04 -0.212476D+01
      3  -0.265065D+01  0.715229D+00 -0.192817D+01  0.176670D+01  0.101297D+01
                91            92            93            94            95 
      1  -0.326390D+01 -0.146773D+01 -0.279026D+01 -0.209881D+01 -0.972634D+00
      2   0.730517D+01  0.440652D+01  0.834906D+01  0.424667D+01  0.398856D+01
      3  -0.250209D+01 -0.599087D+01 -0.255884D+01 -0.608968D+01 -0.873470D+01
                96            97            98            99           100 
      1  -0.327544D+01 -0.484147D+01 -0.239306D+01 -0.562403D+01  0.217017D+01
      2   0.704062D+01  0.998728D+01  0.992445D+01  0.168410D+02 -0.389150D+01
      3  -0.246643D+01 -0.354326D+01 -0.645426D+01 -0.657469D+01  0.109975D+02
               101           102           103           104           105 
      1  -0.176207D+01 -0.100248D+01 -0.153997D+01  0.235772D+01 -0.297415D+00
      2   0.212454D+01  0.648494D+01  0.335704D+01 -0.306169D+01 -0.481517D+01
      3  -0.861464D+01 -0.405855D+01 -0.771549D+01  0.103384D+02  0.437056D+01
               106           107           108           109           110 
      1  -0.184068D+01  0.160189D+01  0.714917D+00 -0.288641D+00 -0.892979D+00
      2   0.433822D+01 -0.125399D+01 -0.477606D+01 -0.137596D+01  0.187147D+01
      3  -0.463412D+01  0.541468D+01  0.255201D+01 -0.278759D+01 -0.701223D+00
               111           112           113           114           115 
      1  -0.274210D+00  0.100573D+01  0.950768D+00 -0.419678D+01 -0.246864D+01
      2   0.114368D+01 -0.130604D+01 -0.103511D+02  0.957332D+01  0.351758D+01
      3  -0.125255D+01 -0.572592D+01 -0.219653D+02  0.103931D+02  0.142413D+01
               116           117           118           119           120 
      1  -0.146151D+01  0.320414D+01 -0.420468D+01 -0.321946D+01 -0.389485D+01
      2   0.107677D+02 -0.100014D+02 -0.134630D+01 -0.965311D+00  0.918541D+00
      3   0.140246D+02 -0.988046D+01  0.582919D+01  0.166139D+01  0.344189D+01
               121           122           123           124           125 
      1  -0.115579D+01 -0.476916D+01 -0.639952D+01 -0.373147D+01 -0.898751D+01
      2  -0.587241D+00 -0.972950D+00  0.130031D+00 -0.222890D+01 -0.638009D+00
      3   0.611550D+01  0.649234D+01  0.216120D+01  0.984633D+01  0.483046D+01
               126           127           128           129           130 
      1  -0.127419D+02  0.144997D+01 -0.202102D+01  0.147884D+00  0.362839D+00
      2  -0.927952D+00  0.727333D+00  0.738559D+00  0.104496D+01  0.169577D+00
      3   0.428074D+01 -0.103657D+01  0.649295D+00 -0.111593D+01  0.805116D+01
               131           132           133           134           135 
      1   0.663186D+01 -0.707422D+01 -0.237512D+01 -0.698967D+01  0.597059D+01
      2  -0.793830D+00 -0.140039D+00 -0.196004D+01  0.513389D-01  0.362338D-01
      3   0.535391D+01 -0.304953D+00 -0.445555D+01 -0.259344D+00  0.217982D+01
               136           137           138           139           140 
      1  -0.705265D+01 -0.446065D+01 -0.310212D+01 -0.724028D+01  0.804101D+01
      2  -0.179118D+02  0.302912D+01  0.501811D+01  0.386452D+01 -0.240655D+01
      3   0.154991D+00  0.153378D+01  0.271938D+01  0.874897D+01 -0.624885D+01
               141           142           143           144           145 
      1  -0.144534D+02 -0.273815D+01 -0.740005D+01 -0.367623D+01 -0.149344D+01
      2  -0.431218D+00  0.917842D+00 -0.758079D+00  0.479241D+01 -0.982517D+01
      3   0.794250D+01  0.254389D+01  0.577964D+01  0.351848D+01  0.711942D+01
               146           147           148           149           150 
      1  -0.411558D+00 -0.196941D+01  0.250058D+00 -0.210812D+01 -0.218089D+01
      2  -0.187595D+01 -0.998427D+01 -0.255887D+01 -0.998410D+01 -0.613373D+01
      3   0.130835D+02  0.314516D+01  0.251266D+02 -0.165492D+02  0.929557D+01
               151           152           153           154           155 
      1  -0.270085D+01  0.140291D+01  0.323308D+01  0.428945D+01 -0.310916D+01
      2  -0.184390D+02 -0.526564D+01  0.176212D+02  0.228719D+02 -0.307962D+01
      3   0.381686D+01  0.938154D+01  0.766388D+01  0.305930D+01 -0.106784D+01
               156           157           158           159           160 
      1  -0.109467D+00 -0.199330D+01  0.523938D+00 -0.609861D-02 -0.581994D+00
      2  -0.113464D+01 -0.422009D+01  0.121256D+01 -0.142675D+00 -0.457494D+01
      3  -0.329988D+00  0.183171D+01 -0.232889D-01 -0.387180D+00 -0.263348D+00
               161           162           163           164           165 
      1   0.148460D+01  0.682618D+00  0.372842D+01  0.492725D+01  0.293997D+01
      2   0.223949D+00  0.229825D+01 -0.131950D+01 -0.863517D+00  0.286305D+01
      3   0.380700D+00  0.184102D+00 -0.198956D+01 -0.393893D+01 -0.233193D+01
               166           167           168           169           170 
      1   0.375402D+01  0.540898D+01  0.482285D+01  0.307588D+01  0.624201D+01
      2  -0.311350D+01  0.919808D+00  0.304787D+01 -0.312627D+01  0.593457D+00
      3  -0.122481D+01 -0.344940D+01 -0.392275D+01 -0.136642D+01 -0.349928D+01
               171           172           173           174           175 
      1   0.569384D+01 -0.807038D+00  0.278346D+01  0.652504D+00  0.330419D+01
      2   0.328799D+01  0.661821D+00  0.355466D+00  0.111589D+01  0.319543D+01
      3  -0.343977D+01  0.800595D+00 -0.248720D+01  0.475375D+00  0.142133D+01
               176           177           178           179           180 
      1  -0.131047D+02  0.252463D+01 -0.448315D+00  0.478640D+01 -0.173902D+01
      2   0.287039D+01 -0.436974D+01 -0.158667D+01 -0.128698D+01  0.184917D+01
      3   0.968381D+01 -0.520856D+01 -0.619519D+00 -0.277545D+01  0.193254D+01
               181           182           183           184           185 
      1  -0.901558D+00 -0.540575D+00  0.834240D+00 -0.132819D+00 -0.406251D+00
      2  -0.444173D+01  0.174574D+00  0.637936D+01  0.189000D+00 -0.102569D+01
      3  -0.168290D+01 -0.245572D+01  0.785859D+00 -0.196238D+01 -0.765927D-01
               186           187           188           189           190 
      1  -0.317023D+00  0.128716D+01  0.329755D+01 -0.355393D+01  0.440970D+00
      2   0.321457D+01  0.551773D+01  0.213449D+01 -0.236661D+02  0.220573D+01
      3   0.164277D+01  0.938776D+00  0.445021D+01 -0.320544D+01  0.449796D+01
               191           192           193           194           195 
      1  -0.276887D+00  0.933293D+00 -0.217759D+00  0.121149D+01 -0.382825D+01
      2  -0.119539D+01  0.318842D+01 -0.160645D+01  0.500961D+01 -0.579872D+01
      3  -0.729628D+01  0.648510D+00 -0.971695D+01  0.252782D+02 -0.438126D+01
               196           197           198           199           200 
      1   0.599008D+00  0.294253D+00  0.701071D+00  0.125717D+01  0.854627D+00
      2   0.258261D+01 -0.261759D+01  0.137958D+01  0.750164D+01  0.313340D+01
      3   0.674327D+00 -0.518091D+01  0.218664D+01 -0.963676D+01 -0.891356D+01
               201           202           203           204           205 
      1   0.176578D+00  0.844801D+00  0.108830D+01 -0.796092D+00  0.114258D+01
      2   0.836918D+01  0.455170D+01  0.500999D+01  0.739195D+01  0.661590D+01
      3  -0.401734D+01 -0.957755D+01 -0.859631D+01 -0.545277D+01 -0.514065D+01
               206           207           208           209           210 
      1   0.173031D+01  0.117375D+00  0.230238D+01 -0.968643D+00  0.284662D+00
      2   0.400136D+01  0.726191D+01 -0.740732D+00  0.610331D+00  0.158848D+01
      3  -0.741744D+01 -0.500373D+01 -0.181328D+01 -0.385459D-01 -0.146767D+01
               211           212           213           214           215 
      1   0.769274D+00  0.102441D+02 -0.658906D+01 -0.111127D+01 -0.733246D+01
      2  -0.131490D+01 -0.265534D+01  0.167292D+01  0.644833D+00  0.305721D+01
      3   0.588968D+01 -0.110316D+02  0.126354D+01 -0.490227D+01  0.558734D+01
               216           217           218           219           220 
      1   0.505029D+01 -0.219615D+01 -0.170548D+01 -0.280257D+01 -0.355387D+00
      2  -0.196649D+01 -0.369256D+00  0.105053D+01  0.200783D+01 -0.554395D+00
      3  -0.228057D+01  0.280408D+01 -0.296793D+01 -0.146013D+00  0.216421D+01
               221           222           223           224           225 
      1   0.533258D+00 -0.312732D+01 -0.144507D+01 -0.277693D+01 -0.781912D+01
      2   0.159611D+01  0.184228D+01 -0.368257D+01  0.335748D+01  0.518589D+01
      3  -0.418299D+01 -0.107806D+01  0.371674D+01 -0.196899D+01 -0.210674D+01
               226           227           228           229           230 
      1  -0.130816D+01  0.123600D+01  0.342299D+01  0.979553D+00 -0.136054D+01
      2  -0.708208D+00  0.240577D+01  0.475306D+01  0.106922D+00 -0.278257D+01
      3  -0.317348D+01 -0.174462D+01 -0.236333D+00  0.306178D+01  0.530234D+01
               231           232           233           234 
      1  -0.278237D+01  0.309435D+01  0.249259D+01 -0.213809D+01
      2  -0.346097D+01  0.176514D+01  0.146815D+01 -0.190196D+01
      3   0.106148D+01  0.115413D+01  0.237097D+01 -0.181060D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116523D+02 -0.489147D+01 -0.877472D+01 -0.525277D+01 -0.252863D+01
      2   0.852241D+01  0.199400D+01  0.548490D+00  0.117275D+01  0.774247D+01
      3   0.312993D+01  0.289747D+01  0.822623D+01  0.408002D+01 -0.521384D+01
      4   0.203358D+01 -0.562280D+00 -0.243624D+01 -0.194921D+01 -0.255497D+01
      5   0.439745D+00 -0.450379D+01 -0.935513D+01  0.114114D+01  0.385177D+00
      6  -0.231470D+01  0.245310D+00  0.435988D+01  0.283030D+01  0.315352D+01
                 6             7             8             9            10 
      1   0.587382D+01 -0.188486D+02 -0.999585D+00 -0.213893D+01 -0.670521D+01
      2  -0.193844D+01  0.583851D+01  0.254528D+01  0.546379D+01  0.656559D+01
      3  -0.393538D+01  0.130101D+02 -0.154569D+01 -0.332485D+01  0.139619D+00
      4   0.283230D+00 -0.585059D+01  0.669935D+01  0.818198D+01 -0.118308D+01
      5   0.506462D+01 -0.767133D+01  0.694800D+01  0.887046D+01  0.429729D+01
      6  -0.427000D+01  0.790351D+01 -0.373495D+01 -0.657031D+01  0.508761D+01
                11            12            13            14            15 
      1   0.665188D+01 -0.368991D+01  0.732197D+01 -0.102960D+02  0.113263D+00
      2  -0.145800D+00  0.260840D+01 -0.238648D+01  0.118095D+02  0.227884D+01
      3  -0.650608D+01  0.108151D+01 -0.493549D+01 -0.151356D+01 -0.239210D+01
      4  -0.532179D+01  0.959788D+01 -0.101316D+02  0.646573D+01  0.652574D+01
      5   0.774466D+01 -0.852510D+01  0.240473D+01  0.357472D+01 -0.315356D+01
      6   0.167643D+01 -0.587239D+01  0.611719D+01  0.255122D+01 -0.960191D+00
                16            17            18            19            20 
      1  -0.552056D+01  0.116445D+02 -0.632105D+01  0.819826D+00  0.831774D+01
      2   0.320117D+01 -0.612781D+01  0.697284D+01  0.147035D+01 -0.232046D+01
      3   0.231939D+01 -0.551666D+01 -0.651790D+00 -0.229017D+01 -0.599728D+01
      4   0.165581D+02  0.543823D+01 -0.285719D+01  0.309207D+01  0.128238D+01
      5  -0.843295D+01 -0.379502D+01  0.475395D+01 -0.367510D+01 -0.293317D+01
      6  -0.638317D+01 -0.456832D+00  0.365459D+01 -0.764982D+00 -0.500607D+01
                21            22            23            24            25 
      1   0.545498D+01  0.129673D+02  0.207516D+02 -0.423518D+01  0.652118D+01
      2  -0.110665D+01 -0.756607D+01 -0.250418D+02  0.106857D+02  0.212617D+00
      3  -0.434833D+01 -0.540119D+01  0.429020D+01 -0.645051D+01 -0.673380D+01
      4  -0.506638D+01 -0.690803D+00 -0.182299D+02 -0.551195D+01 -0.558350D+01
      5  -0.700539D+01 -0.456851D+01 -0.529107D+01 -0.965811D+01 -0.945686D+01
      6  -0.690314D+01 -0.363658D+01  0.209439D+01 -0.963905D+01 -0.995021D+01
                26            27            28            29            30 
      1  -0.384375D+01  0.853431D+01  0.207268D+02  0.136496D+02  0.115899D+01
      2   0.206543D+02 -0.148680D+01 -0.150886D+02 -0.753903D+01 -0.223028D+01
      3  -0.168106D+02 -0.704751D+01 -0.563824D+01 -0.611061D+01  0.107129D+01
      4  -0.723499D+01 -0.159838D+02  0.473609D+01  0.203134D+02  0.602525D+01
      5  -0.149007D+02 -0.141815D+02  0.411985D+01  0.435133D+01  0.558812D+01
      6  -0.211347D+02 -0.155745D+02  0.112226D+01 -0.335877D+00 -0.220181D+01
                31            32            33            34            35 
      1   0.139520D+02  0.291322D+02  0.850568D+01  0.821494D+01  0.785757D+01
      2  -0.978291D+01 -0.207073D+02 -0.269086D+01 -0.735930D+01 -0.643101D+01
      3  -0.416910D+01 -0.842490D+01 -0.581482D+01 -0.855634D+00 -0.142656D+01
      4   0.231401D+02  0.526217D+02  0.103834D+01  0.592059D+01  0.435965D+01
      5   0.620863D+01 -0.548222D+00  0.120645D+02  0.168130D+02  0.100858D+02
      6  -0.179393D+01  0.424975D+01  0.182621D+01 -0.189816D+00  0.988682D+01
                36            37            38            39            40 
      1   0.710974D+01 -0.199915D+02  0.182689D+01 -0.271006D+01  0.107554D+02
      2  -0.127744D+02  0.151997D+02 -0.226164D+01 -0.201544D+00 -0.749686D+01
      3   0.566470D+01  0.479181D+01  0.434747D+00  0.291160D+01 -0.325850D+01
      4   0.724420D+01  0.402540D+01 -0.225398D+02 -0.190623D+02 -0.349297D+02
      5   0.906860D+01 -0.570028D+01 -0.202533D+02 -0.152669D+02 -0.182290D+02
      6  -0.146019D+01 -0.785881D+01 -0.464953D+01 -0.401121D+01  0.239594D+01
                41            42            43            44            45 
      1  -0.238632D+02 -0.232697D+02 -0.957535D+01 -0.281685D+02 -0.179572D+02
      2   0.116836D+02  0.156346D+02  0.459095D+01  0.202170D+02  0.723828D+01
      3   0.121796D+02  0.763511D+01  0.498440D+01  0.795150D+01  0.107189D+02
      4  -0.253382D+02  0.154322D+02 -0.212303D+02  0.145470D+02 -0.258153D+02
      5   0.194014D+02 -0.181876D+02 -0.326886D+02 -0.301695D+02 -0.107557D+02
      6   0.110635D+02 -0.130360D+02 -0.113145D+02 -0.193796D+02 -0.115999D+01
                46            47            48            49            50 
      1  -0.214249D+02 -0.122949D+02 -0.133643D+01 -0.258481D+02 -0.407564D+02
      2   0.130707D+02  0.133599D+02  0.213607D+01  0.237693D+02  0.375120D+02
      3   0.835416D+01 -0.106503D+01 -0.799642D+00  0.207872D+01  0.324439D+01
      4   0.715763D+01 -0.167992D+02 -0.125001D+02 -0.233243D+02 -0.350373D+02
      5   0.995067D+01 -0.986013D+01 -0.390183D+01 -0.944131D+01  0.728730D+01
      6  -0.702896D+01  0.790731D+01  0.275710D+01  0.813708D+01 -0.112247D+02
                51            52            53            54            55 
      1  -0.426917D+01 -0.284199D+01 -0.831429D+01 -0.152199D+02  0.665764D+01
      2   0.568199D+00  0.326203D+01 -0.404991D+01  0.253280D+01 -0.561248D+01
      3   0.370097D+01 -0.420042D+00  0.123642D+02  0.126871D+02 -0.104515D+01
      4   0.947194D+01 -0.186666D+02  0.138385D+02 -0.893348D+01  0.862821D+00
      5  -0.948777D+01 -0.623892D+00 -0.889466D+01 -0.136126D+01 -0.385835D+01
      6   0.336269D+01  0.497296D+01  0.160182D+02  0.970129D+00 -0.189860D+01
                56            57            58            59            60 
      1   0.995843D+01  0.728668D+01  0.110827D+02  0.410692D+02 -0.402675D+01
      2  -0.110455D+02 -0.980619D+01 -0.113808D+02 -0.440404D+02  0.895859D+01
      3   0.108711D+01  0.251951D+01  0.298100D+00  0.297120D+01 -0.493183D+01
      4   0.223429D+01  0.282169D+00  0.729401D+01  0.342198D+01 -0.104761D+02
      5  -0.323898D+00 -0.303200D+01  0.136647D+00 -0.659015D+01  0.489891D+00
      6  -0.102647D+02 -0.286442D+01 -0.573796D+01  0.118098D+02 -0.168684D+02
                61            62            63            64            65 
      1   0.826892D+01 -0.696722D+01  0.230013D+02  0.152659D+01  0.334906D+01
      2  -0.778222D+01  0.142124D+02 -0.258775D+02 -0.592038D+01 -0.375620D+01
      3  -0.486696D+00 -0.724520D+01  0.287615D+01  0.439379D+01  0.407144D+00
      4  -0.159217D+01 -0.135472D+02 -0.318506D+01  0.270682D+01  0.462122D+01
      5  -0.128125D+01 -0.365490D+01 -0.404572D+01  0.119015D+02 -0.656174D+00
      6  -0.948952D+01 -0.369384D+02 -0.747825D+01 -0.162475D+01  0.455724D+01
                66            67            68            69            70 
      1   0.111043D+02  0.569964D+01  0.135618D+02  0.888139D+00  0.199030D+02
      2  -0.809764D+01 -0.417362D+01 -0.835371D+01 -0.206701D+01 -0.132283D+02
      3  -0.300667D+01 -0.152602D+01 -0.520805D+01  0.117887D+01 -0.667469D+01
      4  -0.303869D+01  0.181461D+02 -0.143203D+02  0.709494D+01 -0.450377D+01
      5   0.133217D+02 -0.230859D+00  0.792362D+01  0.195044D+01  0.193977D+02
      6  -0.258681D+00  0.564925D+00 -0.541431D+01  0.336315D+01 -0.263487D+01
                71            72            73            74            75 
      1  -0.145413D+01  0.129157D+02  0.222369D+01  0.588136D+00  0.330527D+01
      2  -0.911297D+00 -0.112470D+02 -0.462366D+01  0.887865D+00  0.373383D+01
      3   0.236543D+01 -0.166877D+01  0.239997D+01 -0.147600D+01 -0.703910D+01
      4   0.593123D+01 -0.987080D+00 -0.676888D+01  0.690809D+01  0.512869D+01
      5   0.649901D+00 -0.172745D+01 -0.836316D+01  0.523054D+01  0.129017D+02
      6   0.475668D+01  0.830091D+00  0.504356D+01 -0.424819D+01 -0.598861D+01
                76            77            78            79            80 
      1   0.507463D+00 -0.891797D+01 -0.876922D+01  0.250563D+01 -0.794385D+01
      2   0.100014D+01  0.373523D+01  0.342470D+00  0.392943D+01 -0.117247D+01
      3  -0.150760D+01  0.518274D+01  0.842675D+01 -0.643506D+01  0.911632D+01
      4   0.442678D+01 -0.483296D+01 -0.558555D+01  0.514774D+01 -0.631330D+01
      5   0.447294D+01 -0.570290D+01 -0.705074D+01  0.985683D+01 -0.754379D+01
      6  -0.318640D+01  0.949113D+01  0.124771D+02 -0.512210D+01  0.128068D+02
                81            82            83            84            85 
      1  -0.183901D+02  0.939166D+01  0.222272D+00  0.411994D-01 -0.903594D+00
      2  -0.952727D+01 -0.665654D+01  0.866002D+00  0.240853D+01  0.101808D+01
      3   0.279174D+02 -0.273513D+01 -0.108827D+01 -0.244973D+01 -0.114491D+00
      4  -0.880593D+01  0.140157D+02  0.132639D+02 -0.970005D+01  0.100833D+02
      5  -0.164992D+02 -0.125120D+02 -0.842737D+01  0.133768D+02 -0.674732D+01
      6   0.179223D+02 -0.825125D+01 -0.774062D+01  0.815218D+01 -0.659509D+01
                86            87            88            89            90 
      1  -0.658006D+01  0.341314D+01 -0.124646D+01  0.285530D+01 -0.561463D+01
      2   0.800155D+01 -0.176124D+01  0.327142D+01 -0.669536D+00 -0.386833D+01
      3  -0.142149D+01 -0.165190D+01 -0.202496D+01 -0.218576D+01  0.948296D+01
      4   0.135478D+02 -0.896763D+01 -0.942797D+01 -0.101212D+02  0.107032D+02
      5  -0.819247D+01  0.677744D+01  0.114981D+02  0.904436D+01 -0.132495D+02
      6  -0.119703D+02  0.110831D+02  0.868800D+01  0.124170D+02 -0.136300D+02
                91            92            93            94            95 
      1   0.340746D+02  0.118008D+02  0.146207D+02  0.147488D+02  0.115025D+02
      2  -0.185119D+02 -0.444422D+01 -0.740653D+01 -0.546296D+01 -0.254403D+01
      3  -0.155627D+02 -0.735659D+01 -0.721420D+01 -0.928585D+01 -0.895848D+01
      4   0.159483D+02  0.136708D+02  0.101118D+02  0.215271D+02  0.208396D+02
      5   0.186355D+02  0.100426D+02  0.175518D+02  0.100216D+02  0.836646D+01
      6   0.592372D+01  0.322850D+01  0.437984D+01  0.407418D+01  0.390048D+01
                96            97            98            99           100 
      1   0.660804D+01  0.348014D+02  0.145792D+02  0.150549D+02  0.492953D+02
      2  -0.203497D+01 -0.197057D+02 -0.674832D+01 -0.118420D+02 -0.284808D+02
      3  -0.457307D+01 -0.150957D+02 -0.783091D+01 -0.321290D+01 -0.208145D+02
      4   0.863319D+01  0.220402D+02  0.178020D+02  0.183243D+02 -0.141273D+02
      5   0.132628D+02  0.298860D+02  0.208427D+02  0.339424D+02 -0.153902D+02
      6   0.781774D+01  0.950575D+01  0.110399D+02  0.107261D+02  0.121808D+01
               101           102           103           104           105 
      1  -0.152137D+02 -0.114506D+02 -0.362287D+02  0.124704D+02  0.903465D+01
      2   0.970485D+01  0.850414D+01  0.208183D+02 -0.631175D+01 -0.723131D+01
      3   0.550880D+01  0.294651D+01  0.154103D+02 -0.615860D+01 -0.180335D+01
      4   0.128991D+02  0.514164D+01  0.176882D+02 -0.169805D+02 -0.700282D+01
      5   0.617865D+01  0.140844D+02  0.128764D+02 -0.743079D+01 -0.101515D+02
      6  -0.451144D+00  0.348337D+00 -0.169064D+01  0.189338D+01  0.288854D+01
               106           107           108           109           110 
      1  -0.182650D+02  0.635244D+01  0.101386D+02  0.422670D+01  0.657622D+01
      2   0.127874D+02 -0.562153D+01 -0.902593D+01 -0.234301D+01 -0.401521D+01
      3   0.547757D+01 -0.730911D+00 -0.111269D+01 -0.188369D+01 -0.256101D+01
      4   0.617445D+01 -0.716519D+01 -0.342043D+01  0.432669D+01  0.451054D+01
      5   0.175142D+02 -0.388093D+01 -0.116086D+02 -0.242175D+01  0.496906D-01
      6  -0.638372D+00  0.394552D+01  0.109328D+01 -0.169776D+01  0.144478D+01
               111           112           113           114           115 
      1  -0.378313D+01  0.138845D+02 -0.156632D+01  0.544188D+01 -0.844121D+01
      2   0.173452D+01 -0.491235D+01  0.117507D+02 -0.498462D+01  0.464671D+01
      3   0.204862D+01 -0.897216D+01 -0.101844D+02 -0.457257D+00  0.379450D+01
      4  -0.317531D+00  0.217327D+02  0.394340D+02 -0.180174D+02 -0.860967D+01
      5   0.450367D+01 -0.762654D+01 -0.203572D+02  0.182439D+02  0.161704D+02
      6   0.336775D+00 -0.655932D+01 -0.178623D+02  0.136035D+02  0.734963D+01
               116           117           118           119           120 
      1   0.685096D+01 -0.107519D+01 -0.253807D+01 -0.638930D+01 -0.445291D+01
      2  -0.656734D+01 -0.214267D+01  0.265038D+01  0.840692D+01  0.442794D+01
      3  -0.283623D+00  0.321785D+01 -0.112302D+00 -0.201762D+01  0.249702D-01
      4  -0.225158D+02  0.185550D+02  0.595071D+01  0.851330D+01  0.497921D+01
      5   0.217448D+02 -0.190191D+02  0.243734D+01  0.342033D+01  0.514377D+01
      6   0.166659D+02 -0.130031D+02  0.680147D+01  0.728935D+01  0.585973D+01
               121           122           123           124           125 
      1  -0.548810D+01 -0.239763D+02 -0.864413D+01 -0.718523D+01 -0.198364D+02
      2   0.708406D+01  0.292090D+02  0.945341D+01  0.594517D+01  0.201309D+02
      3  -0.159595D+01 -0.523275D+01 -0.809275D+00  0.124006D+01 -0.294455D+00
      4   0.391652D+01  0.368747D+01  0.353436D+01  0.611344D+01  0.589941D+01
      5   0.177190D+01  0.270723D+01  0.135422D+01  0.529095D+01  0.397088D+01
      6   0.424490D+01  0.140994D+02  0.145663D+02  0.770742D+01  0.274929D+02
               126           127           128           129           130 
      1  -0.193491D+02 -0.105863D+01  0.303762D+01 -0.199782D+01 -0.369377D+01
      2   0.138724D+02  0.420950D+01 -0.600902D+01  0.234615D+01  0.172580D+01
      3   0.547670D+01 -0.315086D+01  0.297140D+01 -0.348329D+00  0.196798D+01
      4   0.436049D+01 -0.366863D+01  0.108369D+02 -0.355205D+01  0.574112D+01
      5   0.311276D+01  0.232296D+01 -0.224666D+01  0.388125D+01 -0.184615D+01
      6   0.234839D+02 -0.403930D+01  0.476757D+01 -0.639941D+00  0.465208D+00
               131           132           133           134           135 
      1  -0.426935D+02  0.133999D+02  0.335139D+00  0.232556D+02 -0.168005D+02
      2   0.595535D+02 -0.173910D+02  0.909874D+00 -0.285087D+02  0.152926D+02
      3  -0.168600D+02  0.399114D+01 -0.124501D+01  0.525306D+01  0.150786D+01
      4  -0.952390D+01  0.412288D+01 -0.384713D+01  0.546722D+01 -0.300009D+01
      5   0.304505D+01 -0.136444D+01  0.318165D+01 -0.162528D+01  0.229993D+01
      6  -0.268307D+02  0.165436D+02  0.213107D+01  0.272788D+02 -0.159989D+02
               136           137           138           139           140 
      1   0.153156D+02 -0.458698D+01 -0.186385D+00 -0.722880D+01  0.650448D+01
      2  -0.954220D+00  0.682321D+01  0.761646D+01  0.110430D+02 -0.217729D+01
      3  -0.143614D+02 -0.223623D+01 -0.743008D+01 -0.381420D+01 -0.432718D+01
      4  -0.854543D+01 -0.300546D+01 -0.215146D+01 -0.940033D+01  0.149417D+02
      5   0.104285D+01 -0.672270D+01 -0.139885D+02 -0.834483D+01 -0.196825D+02
      6  -0.523002D+01 -0.885974D+01 -0.335585D+01 -0.133184D+02  0.196093D+02
               141           142           143           144           145 
      1  -0.448623D+01 -0.138723D+01 -0.224487D+01 -0.949955D+01  0.322241D+01
      2   0.145197D+02  0.817597D+01  0.109916D+02  0.322955D+01 -0.106876D+01
      3  -0.100335D+02 -0.678874D+01 -0.874676D+01  0.627000D+01 -0.215365D+01
      4  -0.158993D+02 -0.602326D+00 -0.104306D+02 -0.357465D+01 -0.155155D+02
      5  -0.871460D+01 -0.198852D+02 -0.603675D+01 -0.111783D+02 -0.194939D+02
      6  -0.184298D+02 -0.237065D+01 -0.154206D+02 -0.805004D+01  0.655315D+00
               146           147           148           149           150 
      1  -0.166943D+02 -0.168543D+02 -0.220531D+02 -0.212778D+02 -0.810670D+01
      2   0.136361D+02  0.693648D+01  0.204095D+02  0.192753D+00  0.678196D+01
      3   0.305816D+01  0.991783D+01  0.164359D+01  0.210850D+02  0.132473D+01
      4  -0.230917D+02 -0.346793D+01 -0.386017D+02  0.347005D+02 -0.168184D+02
      5  -0.376362D+01 -0.185799D+02 -0.587377D+01 -0.153430D+02 -0.116389D+02
      6  -0.168858D+01  0.838469D+00 -0.257172D+01  0.245472D+01 -0.982733D+00
               151           152           153           154           155 
      1  -0.219520D+02 -0.772062D+01 -0.190990D+02 -0.836097D+01 -0.782199D-01
      2   0.635111D+01  0.642390D+01  0.163219D+02  0.227172D+01 -0.376937D+00
      3   0.156009D+02  0.129672D+01  0.277716D+01  0.608925D+01  0.455157D+00
      4  -0.514206D+01 -0.178866D+02 -0.963091D+01  0.557590D+01 -0.110020D+00
      5  -0.250272D+02 -0.101496D+02  0.307032D+02 -0.145997D+02  0.178069D+01
      6   0.649789D+00  0.140383D+01 -0.369590D+01  0.183068D+01 -0.361425D+01
               156           157           158           159           160 
      1   0.943760D+01  0.161721D+01 -0.223027D+01 -0.128442D+01  0.466301D+01
      2   0.324324D+01 -0.204110D+01  0.124882D+01 -0.229743D+01  0.193187D+01
      3  -0.126808D+02  0.423887D+00  0.981450D+00  0.358184D+01 -0.659488D+01
      4  -0.979255D+00  0.166431D+01 -0.719270D+00  0.140709D+01 -0.101281D+01
      5   0.310428D+01  0.277767D+01  0.893095D+00  0.162484D+01  0.694683D+01
      6   0.193144D+01 -0.947289D+00 -0.892961D+00  0.365491D+01  0.424557D+00
               161           162           163           164           165 
      1  -0.856356D+00 -0.367606D+01  0.743503D+01  0.266922D+01  0.691056D+00
      2  -0.996957D+00 -0.261308D+01 -0.112055D+02 -0.441232D+01 -0.120121D+02
      3   0.185331D+01  0.628914D+01  0.377048D+01  0.174309D+01  0.113210D+02
      4  -0.496758D+00  0.116178D+01  0.582404D+01  0.657084D+01  0.426299D+01
      5   0.351612D+00 -0.360410D+01  0.177934D+02  0.731856D+01  0.211628D+02
      6   0.315859D+01  0.104464D+01  0.548304D+01  0.695143D+01  0.507337D+01
               166           167           168           169           170 
      1   0.444540D+01 -0.242451D+01 -0.427338D+01  0.978480D+00 -0.215568D+01
      2  -0.708335D+01 -0.192339D+01 -0.103332D+02 -0.971739D+01 -0.578416D+01
      3   0.263795D+01  0.434791D+01  0.146066D+02  0.873891D+01  0.793984D+01
      4   0.725649D+01  0.654135D+01  0.857203D+01  0.280007D+01  0.560613D+01
      5   0.124971D+02  0.110089D+02  0.163027D+02  0.167373D+02  0.794851D+01
      6   0.760292D+01  0.821806D+01  0.131006D+02  0.435666D+01  0.961700D+01
               171           172           173           174           175 
      1  -0.784576D+01  0.238432D+00 -0.988484D+00 -0.192297D+00 -0.112211D+01
      2  -0.171357D+02 -0.200764D+00 -0.113904D+01 -0.212770D+01 -0.165604D+01
      3   0.249815D+02 -0.376686D-01  0.212752D+01  0.232000D+01  0.277815D+01
      4   0.590082D+01 -0.508632D+01  0.861652D+01 -0.370909D+01  0.112601D+02
      5   0.237210D+02  0.511757D+01 -0.485727D+01  0.798143D+01 -0.747654D+01
      6   0.989725D+01 -0.420553D+01  0.590045D+01 -0.287737D+01  0.831390D+01
               176           177           178           179           180 
      1  -0.156845D+02  0.122699D+02 -0.488431D+00  0.672133D+01 -0.702135D+01
      2   0.173259D+02 -0.381760D+01 -0.184678D+01 -0.138207D+01 -0.125152D+01
      3  -0.164147D+01 -0.845235D+01  0.233521D+01 -0.533926D+01  0.827287D+01
      4  -0.214428D+02  0.112908D+02 -0.186217D+01  0.551116D+01 -0.474081D+01
      5   0.128916D+02 -0.102546D+02  0.619643D+01 -0.459869D+01  0.744728D+01
      6  -0.302991D+02  0.221532D+02 -0.263633D+01  0.138917D+02 -0.105232D+02
               181           182           183           184           185 
      1   0.107417D+02  0.254062D+01 -0.887851D+01  0.601155D+01  0.280251D+01
      2  -0.810966D+01 -0.178048D+01  0.647200D+01 -0.426559D+01 -0.737710D+00
      3  -0.263203D+01 -0.760136D+00  0.240651D+01 -0.174596D+01 -0.206480D+01
      4   0.160094D+01  0.453624D+01  0.379942D+00  0.738847D+01 -0.113993D+01
      5  -0.107657D+02 -0.417511D+00  0.153367D+02 -0.193239D+01 -0.322789D+01
      6   0.583541D+00 -0.399498D+00 -0.113522D+01 -0.112357D+01 -0.735760D+00
               186           187           188           189           190 
      1  -0.146993D+00 -0.202872D+02  0.624884D+00  0.892010D+01  0.160598D+02
      2   0.114334D+01  0.149346D+02  0.875668D+00 -0.181439D+02 -0.410321D+01
      3  -0.996349D+00  0.535265D+01 -0.150055D+01  0.922378D+01 -0.119566D+02
      4  -0.347180D+01  0.193031D+01 -0.735182D+01  0.261780D+01 -0.141980D+02
      5   0.593713D+01  0.259837D+02  0.322241D+01 -0.464975D+02  0.376982D+01
      6   0.374298D+01 -0.198077D+01  0.403760D+01  0.431361D+01 -0.926249D+00
               191           192           193           194           195 
      1  -0.940717D+01  0.364231D+01 -0.214334D+02  0.840381D+01  0.367690D+00
      2   0.102846D+01 -0.132250D+01  0.103149D+01  0.160568D+02 -0.237503D+01
      3   0.837870D+01 -0.231981D+01  0.204019D+02 -0.244606D+02  0.200734D+01
      4   0.190002D+02 -0.236181D+01  0.368167D+02 -0.537120D+02  0.864044D+01
      5  -0.173851D+01  0.540448D+01 -0.223241D+01  0.735876D+01 -0.969786D+01
      6   0.523740D+00 -0.642451D+00  0.131337D+01 -0.217769D+01  0.651220D+01
               196           197           198           199           200 
      1   0.867767D+01 -0.646385D+00  0.338627D+01  0.485897D+02  0.153028D+02
      2  -0.272871D+01 -0.197302D+01 -0.127124D+01 -0.251840D+02 -0.835617D+01
      3  -0.594896D+01  0.261940D+01 -0.211503D+01 -0.234057D+02 -0.694661D+01
      4  -0.575297D+01  0.106508D+02 -0.608991D+01  0.154279D+02  0.153384D+02
      5   0.940320D+01 -0.609575D+01  0.254084D+01  0.167240D+02  0.645514D+01
      6  -0.292962D+01  0.552552D+01 -0.261757D+01  0.986781D+00  0.479472D+00
               201           202           203           204           205 
      1   0.151340D+02  0.331232D+02  0.142578D+02  0.805385D+01  0.294249D+02
      2  -0.855946D+01 -0.170208D+02 -0.376355D+01 -0.507143D+01 -0.163219D+02
      3  -0.657455D+01 -0.161024D+02 -0.104943D+02 -0.298242D+01 -0.131031D+02
      4   0.632758D+01  0.227017D+02  0.149738D+02  0.101442D+02  0.862638D+01
      5   0.148352D+02  0.107070D+02  0.924481D+01  0.129442D+02  0.204431D+02
      6  -0.185223D+00  0.191356D+01  0.179846D+01  0.261343D+01  0.123011D+01
               206           207           208           209           210 
      1   0.691475D+01  0.130366D+02 -0.115364D+01  0.147610D+01 -0.177362D+01
      2  -0.466754D+01 -0.107712D+02  0.291501D+01 -0.178407D+01  0.661971D+00
      3  -0.224721D+01 -0.226545D+01 -0.176138D+01  0.307973D+00  0.111165D+01
      4   0.122891D+02  0.791841D+01  0.777428D+00  0.729507D+01 -0.558231D+00
      5   0.813669D+01  0.148661D+02 -0.137696D+01  0.359698D+00  0.308046D+01
      6   0.224594D+01  0.215845D+01 -0.189399D+01  0.557300D+00  0.732595D+00
               211           212           213           214           215 
      1  -0.334398D+00 -0.247218D+02  0.389627D+01 -0.226395D+01  0.116313D+02
      2   0.235021D+01  0.403987D+02 -0.819410D+01 -0.966784D+00 -0.202001D+02
      3  -0.201581D+01 -0.156769D+02  0.429784D+01  0.323073D+01  0.856883D+01
      4   0.679680D+01  0.141598D+02 -0.196737D+01 -0.310687D+01 -0.673620D+01
      5   0.125191D+00 -0.156628D+01  0.272845D+01  0.320585D+01  0.413367D+01
      6  -0.460987D+00 -0.742186D+01  0.776290D+01  0.225331D+01  0.124336D+02
               216           217           218           219           220 
      1  -0.585416D+01  0.323323D+01 -0.285990D+01 -0.175860D+01 -0.245483D+01
      2   0.559870D+01 -0.427764D+01  0.189371D+00 -0.254614D+01  0.168757D+01
      3   0.255463D+00  0.104441D+01  0.267053D+01  0.430475D+01  0.767263D+00
      4   0.487523D+01  0.731344D+01  0.101770D+02  0.890642D+01  0.604162D+01
      5  -0.854360D+00  0.104945D+02  0.811518D+01  0.121259D+02  0.380490D+01
      6  -0.434450D+01  0.693753D+01  0.855300D+01  0.797533D+01  0.523460D+01
               221           222           223           224           225 
      1  -0.107335D+02 -0.641592D+01 -0.155966D+01 -0.106492D+02 -0.171077D+02
      2   0.884401D+01  0.227395D+01 -0.230061D+01 -0.282142D+00 -0.543263D+01
      3   0.188952D+01  0.414197D+01  0.386027D+01  0.109314D+02  0.225403D+02
      4   0.101936D+02  0.739971D+01  0.947100D+01  0.108794D+02  0.139501D+02
      5   0.757339D+01  0.684455D+01  0.120175D+02  0.129693D+02  0.204741D+02
      6   0.115357D+02  0.135598D+02  0.905515D+01  0.208210D+02  0.247728D+02
               226           227           228           229           230 
      1   0.184528D+02 -0.885439D+01 -0.353568D+01 -0.692999D+01 -0.397439D+01
      2  -0.420741D+01 -0.364907D+00  0.178744D+01 -0.217260D+01  0.140738D+02
      3  -0.142454D+02  0.921930D+01  0.174824D+01  0.910259D+01 -0.100994D+02
      4  -0.280008D+02  0.234951D+02  0.101944D+02  0.199153D+02 -0.274156D+02
      5  -0.105134D+02  0.809377D+01  0.964918D+01  0.560380D+01 -0.772909D+01
      6   0.606131D+01 -0.682371D+01 -0.580874D+01 -0.520959D+01  0.934372D+01
               231           232           233           234 
      1  -0.156299D+01 -0.468242D+01  0.888522D+00  0.195344D+01
      2   0.279657D+01  0.171778D+01  0.441823D+01 -0.103099D+01
      3  -0.123358D+01  0.296464D+01 -0.530675D+01 -0.922447D+00
      4  -0.949609D+01  0.120086D+02 -0.151196D+02 -0.676878D+01
      5  -0.622993D+01  0.903448D+01 -0.442154D+01 -0.684169D+01
      6   0.693321D+01 -0.630651D+01  0.427480D+01  0.567625D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:21:14 2021, MaxMem=  5637144576 cpu:           56199.6 elap:            7052.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02807 -10.02377 -10.01833 -10.01824 -10.01806
 Alpha  occ. eigenvalues --  -10.01773 -10.01132 -10.00926 -10.00640 -10.00337
 Alpha  occ. eigenvalues --   -0.95810  -0.88669  -0.83038  -0.80981  -0.77497
 Alpha  occ. eigenvalues --   -0.76021  -0.72030  -0.65870  -0.61234  -0.58091
 Alpha  occ. eigenvalues --   -0.55403  -0.54691  -0.53264  -0.52189  -0.50455
 Alpha  occ. eigenvalues --   -0.49041  -0.48276  -0.46725  -0.46250  -0.45538
 Alpha  occ. eigenvalues --   -0.45077  -0.44245  -0.43178  -0.40762  -0.38884
 Alpha  occ. eigenvalues --   -0.34900  -0.33383  -0.31215
 Alpha virt. eigenvalues --    0.02925   0.03703   0.03929   0.04084   0.05186
 Alpha virt. eigenvalues --    0.05386   0.05686   0.06075   0.06363   0.07622
 Alpha virt. eigenvalues --    0.07885   0.08024   0.08474   0.09044   0.09675
 Alpha virt. eigenvalues --    0.09758   0.10439   0.11554   0.12302   0.12776
 Alpha virt. eigenvalues --    0.13005   0.13211   0.13541   0.13772   0.14526
 Alpha virt. eigenvalues --    0.14764   0.15092   0.15363   0.15556   0.16200
 Alpha virt. eigenvalues --    0.16684   0.17098   0.17534   0.17940   0.18331
 Alpha virt. eigenvalues --    0.18651   0.18852   0.19183   0.19517   0.20169
 Alpha virt. eigenvalues --    0.20695   0.21149   0.21239   0.21826   0.22072
 Alpha virt. eigenvalues --    0.22934   0.23348   0.23553   0.23847   0.24491
 Alpha virt. eigenvalues --    0.24866   0.25113   0.25847   0.26426   0.26742
 Alpha virt. eigenvalues --    0.27173   0.27935   0.28340   0.28882   0.29414
 Alpha virt. eigenvalues --    0.30004   0.30504   0.30617   0.31619   0.32161
 Alpha virt. eigenvalues --    0.32505   0.33375   0.34086   0.34452   0.34872
 Alpha virt. eigenvalues --    0.35972   0.36771   0.37556   0.38088   0.38670
 Alpha virt. eigenvalues --    0.39256   0.39753   0.40166   0.40402   0.40959
 Alpha virt. eigenvalues --    0.41978   0.42311   0.42592   0.43027   0.43160
 Alpha virt. eigenvalues --    0.44053   0.44334   0.44984   0.45114   0.45359
 Alpha virt. eigenvalues --    0.46164   0.46382   0.47141   0.47332   0.49020
 Alpha virt. eigenvalues --    0.49397   0.49658   0.50031   0.50489   0.51382
 Alpha virt. eigenvalues --    0.51979   0.52257   0.52824   0.53172   0.53514
 Alpha virt. eigenvalues --    0.54956   0.55328   0.55556   0.55827   0.56751
 Alpha virt. eigenvalues --    0.56916   0.57614   0.58174   0.58348   0.59089
 Alpha virt. eigenvalues --    0.59569   0.60597   0.61558   0.61890   0.62222
 Alpha virt. eigenvalues --    0.63120   0.63473   0.64090   0.64703   0.65038
 Alpha virt. eigenvalues --    0.65470   0.66364   0.66829   0.67774   0.67892
 Alpha virt. eigenvalues --    0.68381   0.68842   0.69836   0.70409   0.70585
 Alpha virt. eigenvalues --    0.70770   0.71448   0.72725   0.72981   0.73417
 Alpha virt. eigenvalues --    0.73692   0.74171   0.74578   0.75415   0.75798
 Alpha virt. eigenvalues --    0.76395   0.76649   0.77159   0.77924   0.78392
 Alpha virt. eigenvalues --    0.79847   0.80137   0.81070   0.81333   0.82075
 Alpha virt. eigenvalues --    0.82490   0.82660   0.83717   0.84021   0.84697
 Alpha virt. eigenvalues --    0.84924   0.86036   0.87254   0.87766   0.88327
 Alpha virt. eigenvalues --    0.89028   0.89752   0.90932   0.92020   0.92662
 Alpha virt. eigenvalues --    0.93264   0.94991   0.96216   0.96856   0.97951
 Alpha virt. eigenvalues --    0.98562   1.00039   1.00805   1.02386   1.03336
 Alpha virt. eigenvalues --    1.04267   1.05725   1.06085   1.07821   1.08133
 Alpha virt. eigenvalues --    1.09338   1.10496   1.10685   1.13075   1.14702
 Alpha virt. eigenvalues --    1.15260   1.16743   1.19471   1.19916   1.21402
 Alpha virt. eigenvalues --    1.21892   1.22670   1.25088   1.26000   1.27717
 Alpha virt. eigenvalues --    1.28735   1.30191   1.32942   1.33089   1.35102
 Alpha virt. eigenvalues --    1.36696   1.37642   1.41056   1.41511   1.43093
 Alpha virt. eigenvalues --    1.45364   1.47253   1.49039   1.49964   1.51090
 Alpha virt. eigenvalues --    1.51938   1.53795   1.55200   1.55872   1.56470
 Alpha virt. eigenvalues --    1.57523   1.58993   1.60485   1.60808   1.62322
 Alpha virt. eigenvalues --    1.63401   1.63890   1.65031   1.66041   1.67628
 Alpha virt. eigenvalues --    1.69016   1.69868   1.70738   1.71331   1.71939
 Alpha virt. eigenvalues --    1.73474   1.74778   1.76728   1.78075   1.78302
 Alpha virt. eigenvalues --    1.80342   1.81260   1.81432   1.81575   1.83483
 Alpha virt. eigenvalues --    1.85881   1.86844   1.87645   1.89717   1.91155
 Alpha virt. eigenvalues --    1.91959   1.93577   1.93937   1.94847   1.95110
 Alpha virt. eigenvalues --    1.96929   1.97857   2.00378   2.01513   2.02071
 Alpha virt. eigenvalues --    2.02372   2.04031   2.04205   2.04764   2.07047
 Alpha virt. eigenvalues --    2.07376   2.08950   2.10796   2.12794   2.12997
 Alpha virt. eigenvalues --    2.14844   2.16255   2.17517   2.18463   2.19400
 Alpha virt. eigenvalues --    2.20277   2.22366   2.23483   2.24326   2.25939
 Alpha virt. eigenvalues --    2.26256   2.27991   2.28763   2.29986   2.30932
 Alpha virt. eigenvalues --    2.32469   2.34664   2.34974   2.37493   2.38952
 Alpha virt. eigenvalues --    2.39933   2.40424   2.42281   2.42646   2.44746
 Alpha virt. eigenvalues --    2.45785   2.47048   2.47477   2.50029   2.50944
 Alpha virt. eigenvalues --    2.52975   2.56163   2.57631   2.59281   2.61339
 Alpha virt. eigenvalues --    2.62358   2.64405   2.64855   2.66195   2.67883
 Alpha virt. eigenvalues --    2.69013   2.70519   2.72681   2.74743   2.76507
 Alpha virt. eigenvalues --    2.79311   2.79513   2.81653   2.84449   2.85735
 Alpha virt. eigenvalues --    2.87096   2.88468   2.90058   2.92018   2.97092
 Alpha virt. eigenvalues --    3.00135   3.04821   3.07441   3.10179   3.18148
 Alpha virt. eigenvalues --    3.22637   3.40381   3.55422   3.67067   4.18378
 Alpha virt. eigenvalues --    4.81379
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.375149  -3.781644  -4.644434   0.797411  -0.194125  -1.221400
     2  C   -3.781644  13.369050   1.697171  -1.526564  -0.077304   1.033205
     3  C   -4.644434   1.697171  15.030242  -0.866006  -0.976885  -2.682603
     4  C    0.797411  -1.526564  -0.866006  14.764903  -0.410406  -7.128128
     5  C   -0.194125  -0.077304  -0.976885  -0.410406   7.526174  -1.176332
     6  C   -1.221400   1.033205  -2.682603  -7.128128  -1.176332  18.807795
     7  C    1.301905  -2.633356  -1.108785  -0.706480   0.134638  -0.231831
     8  C   -0.289795  -0.632645  -0.729852   0.032744   0.127560  -0.518294
     9  H   -2.477776   0.893169   0.714447   0.101380   0.057509  -0.039041
    10  H    0.885022  -2.170394  -0.050894   0.118484  -0.000766  -0.001840
    11  H    0.026636  -0.003758  -0.060194  -0.169321   0.522548  -0.042553
    12  H   -0.124744   0.050537   0.166013   0.489724  -0.414362  -0.099997
    13  H    0.092234  -0.017548  -0.317480   0.121717   0.422695  -0.046730
    14  H    0.251649  -0.275940  -0.120596  -0.074874  -0.025332   0.204967
    15  H   -0.277863   0.530585   0.058276   0.189797   0.033365   0.138291
    16  C   -0.670547  -0.670042   0.022775  -0.224099  -0.080836   0.327953
    17  C   -0.123742  -0.309203  -0.486705   0.205423   0.034702  -0.177977
    18  H   -0.092985  -0.267050  -0.404281   0.043271  -0.007944   0.047381
    19  H    0.087019  -0.123470   0.088273   0.022604   0.000951   0.022784
    20  H   -0.171176   0.131438   0.096182   0.043150   0.006297   0.021292
    21  H   -0.145030  -0.148835   0.017726  -0.016030  -0.000074   0.004495
    22  H   -0.243485   0.215879   0.121304  -0.034747   0.002675   0.018189
    23  H    0.220900  -0.244695  -0.079760   0.042740   0.001647  -0.046319
    24  H   -0.363567   0.228340   0.585631   0.013977  -0.150215   0.024492
    25  H    0.666794  -0.230485  -1.083482   0.207698  -0.041735   0.324460
    26  H   -0.046939  -0.118463   0.430469   0.664983   0.147858  -2.225191
               7          8          9         10         11         12
     1  C    1.301905  -0.289795  -2.477776   0.885022   0.026636  -0.124744
     2  C   -2.633356  -0.632645   0.893169  -2.170394  -0.003758   0.050537
     3  C   -1.108785  -0.729852   0.714447  -0.050894  -0.060194   0.166013
     4  C   -0.706480   0.032744   0.101380   0.118484  -0.169321   0.489724
     5  C    0.134638   0.127560   0.057509  -0.000766   0.522548  -0.414362
     6  C   -0.231831  -0.518294  -0.039041  -0.001840  -0.042553  -0.099997
     7  C    9.653481  -0.540134  -0.055394   0.445115   0.001071  -0.053645
     8  C   -0.540134   9.475626  -0.195575  -0.190351   0.001682  -0.021980
     9  H   -0.055394  -0.195575   3.549860  -0.223557   0.005617   0.000589
    10  H    0.445115  -0.190351  -0.223557   3.473246   0.000944  -0.000041
    11  H    0.001071   0.001682   0.005617   0.000944   1.088466  -0.163887
    12  H   -0.053645  -0.021980   0.000589  -0.000041  -0.163887   1.800883
    13  H    0.016861   0.008094   0.007560   0.000596  -0.162760  -0.200147
    14  H    0.367763  -0.236178   0.010607  -0.003566  -0.000450  -0.005903
    15  H   -0.693339   0.118082   0.001401  -0.265313   0.003186   0.004463
    16  C   -0.045670  -0.285217  -0.033019  -0.017956  -0.004987   0.009862
    17  C   -0.138335  -0.287130  -0.129606  -0.147550   0.001235   0.000097
    18  H   -0.193064   0.345844   0.005413  -0.000505  -0.003129   0.007098
    19  H    0.083869   0.128730  -0.003510   0.014129  -0.000452   0.000791
    20  H    0.033826   0.144688   0.008581  -0.001883   0.000799  -0.001200
    21  H    0.024514   0.680993  -0.048586  -0.043068  -0.000200  -0.000133
    22  H   -0.053221  -0.064835  -0.020275   0.026820  -0.000165   0.000340
    23  H    0.097812  -0.035051   0.027046  -0.024534   0.000208  -0.000288
    24  H   -0.056359  -0.245153   0.012157   0.008599  -0.003400   0.017531
    25  H   -0.010399   0.118044  -0.279833  -0.003814   0.011670  -0.003540
    26  H   -0.042101   0.068767  -0.003510   0.024703   0.010311  -0.113335
              13         14         15         16         17         18
     1  C    0.092234   0.251649  -0.277863  -0.670547  -0.123742  -0.092985
     2  C   -0.017548  -0.275940   0.530585  -0.670042  -0.309203  -0.267050
     3  C   -0.317480  -0.120596   0.058276   0.022775  -0.486705  -0.404281
     4  C    0.121717  -0.074874   0.189797  -0.224099   0.205423   0.043271
     5  C    0.422695  -0.025332   0.033365  -0.080836   0.034702  -0.007944
     6  C   -0.046730   0.204967   0.138291   0.327953  -0.177977   0.047381
     7  C    0.016861   0.367763  -0.693339  -0.045670  -0.138335  -0.193064
     8  C    0.008094  -0.236178   0.118082  -0.285217  -0.287130   0.345844
     9  H    0.007560   0.010607   0.001401  -0.033019  -0.129606   0.005413
    10  H    0.000596  -0.003566  -0.265313  -0.017956  -0.147550  -0.000505
    11  H   -0.162760  -0.000450   0.003186  -0.004987   0.001235  -0.003129
    12  H   -0.200147  -0.005903   0.004463   0.009862   0.000097   0.007098
    13  H    1.137519   0.002240  -0.001776  -0.004924   0.001020   0.001604
    14  H    0.002240   1.473093  -0.356050   0.066199  -0.068578  -0.009809
    15  H   -0.001776  -0.356050   1.814924  -0.024040   0.043136   0.007962
    16  C   -0.004924   0.066199  -0.024040   6.251176  -0.164535   0.271519
    17  C    0.001020  -0.068578   0.043136  -0.164535   6.279582   0.260984
    18  H    0.001604  -0.009809   0.007962   0.271519   0.260984   2.332788
    19  H    0.000570  -0.007652   0.011500   0.043570  -0.142221  -0.512797
    20  H    0.003531   0.011607  -0.003879   0.059395  -0.167979  -0.483261
    21  H    0.000078   0.000529   0.001448  -0.130771  -0.180975  -0.038797
    22  H   -0.000500  -0.008429  -0.000470   0.046647   0.222779   0.017738
    23  H    0.000480   0.013942   0.005432   0.062402   0.208528   0.025996
    24  H   -0.023332  -0.001479   0.000555   0.063612  -0.084003  -0.026140
    25  H    0.014362  -0.005689   0.006203  -0.008865   0.043319   0.001667
    26  H    0.017268  -0.120608  -0.103878  -0.036742   0.000145  -0.025224
              19         20         21         22         23         24
     1  C    0.087019  -0.171176  -0.145030  -0.243485   0.220900  -0.363567
     2  C   -0.123470   0.131438  -0.148835   0.215879  -0.244695   0.228340
     3  C    0.088273   0.096182   0.017726   0.121304  -0.079760   0.585631
     4  C    0.022604   0.043150  -0.016030  -0.034747   0.042740   0.013977
     5  C    0.000951   0.006297  -0.000074   0.002675   0.001647  -0.150215
     6  C    0.022784   0.021292   0.004495   0.018189  -0.046319   0.024492
     7  C    0.083869   0.033826   0.024514  -0.053221   0.097812  -0.056359
     8  C    0.128730   0.144688   0.680993  -0.064835  -0.035051  -0.245153
     9  H   -0.003510   0.008581  -0.048586  -0.020275   0.027046   0.012157
    10  H    0.014129  -0.001883  -0.043068   0.026820  -0.024534   0.008599
    11  H   -0.000452   0.000799  -0.000200  -0.000165   0.000208  -0.003400
    12  H    0.000791  -0.001200  -0.000133   0.000340  -0.000288   0.017531
    13  H    0.000570   0.003531   0.000078  -0.000500   0.000480  -0.023332
    14  H   -0.007652   0.011607   0.000529  -0.008429   0.013942  -0.001479
    15  H    0.011500  -0.003879   0.001448  -0.000470   0.005432   0.000555
    16  C    0.043570   0.059395  -0.130771   0.046647   0.062402   0.063612
    17  C   -0.142221  -0.167979  -0.180975   0.222779   0.208528  -0.084003
    18  H   -0.512797  -0.483261  -0.038797   0.017738   0.025996  -0.026140
    19  H    1.829872  -0.358668   0.009200   0.027746  -0.040088   0.014197
    20  H   -0.358668   1.821387   0.010387  -0.034063   0.024707  -0.006606
    21  H    0.009200   0.010387   2.090555  -0.373193  -0.366323  -0.001957
    22  H    0.027746  -0.034063  -0.373193   1.558695  -0.295498   0.016191
    23  H   -0.040088   0.024707  -0.366323  -0.295498   1.560568  -0.009894
    24  H    0.014197  -0.006606  -0.001957   0.016191  -0.009894   1.570681
    25  H   -0.001367   0.014452   0.003686   0.005943  -0.001213  -0.467960
    26  H    0.002292  -0.000503  -0.000096   0.000328  -0.000116   0.001624
              25         26
     1  C    0.666794  -0.046939
     2  C   -0.230485  -0.118463
     3  C   -1.083482   0.430469
     4  C    0.207698   0.664983
     5  C   -0.041735   0.147858
     6  C    0.324460  -2.225191
     7  C   -0.010399  -0.042101
     8  C    0.118044   0.068767
     9  H   -0.279833  -0.003510
    10  H   -0.003814   0.024703
    11  H    0.011670   0.010311
    12  H   -0.003540  -0.113335
    13  H    0.014362   0.017268
    14  H   -0.005689  -0.120608
    15  H    0.006203  -0.103878
    16  C   -0.008865  -0.036742
    17  C    0.043319   0.000145
    18  H    0.001667  -0.025224
    19  H   -0.001367   0.002292
    20  H    0.014452  -0.000503
    21  H    0.003686  -0.000096
    22  H    0.005943   0.000328
    23  H   -0.001213  -0.000116
    24  H   -0.467960   0.001624
    25  H    2.009344   0.004276
    26  H    0.004276   3.394180
 Mulliken charges:
               1
     1  C    1.164531
     2  C    1.082019
     3  C    0.583448
     4  C   -0.703354
     5  C    0.537697
     6  C    0.662933
     7  C    0.401258
     8  C   -0.978664
     9  H   -0.885654
    10  H   -0.851624
    11  H   -0.059118
    12  H   -0.344728
    13  H   -0.073231
    14  H   -0.081465
    15  H   -0.241998
    16  C    1.177141
    17  C    1.307586
    18  H   -0.304281
    19  H   -0.197871
    20  H   -0.202503
    21  H   -0.349543
    22  H   -0.152394
    23  H   -0.148629
    24  H   -0.117522
    25  H   -0.293536
    26  H   -0.930499
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.278877
     2  C    0.230395
     3  C    0.172390
     4  C   -0.703354
     5  C    0.060620
     6  C   -0.267566
     7  C    0.077796
     8  C   -0.978664
    16  C    0.472487
    17  C    0.657020
 Electronic spatial extent (au):  <R**2>=           1564.0522
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0208    Y=             -0.1362    Z=             -0.1126  Tot=              0.1780
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.4789   YY=            -62.5022   ZZ=            -64.2366
   XY=              0.6932   XZ=             -0.6829   YZ=              0.5673
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0730   YY=              0.9037   ZZ=             -0.8307
   XY=              0.6932   XZ=             -0.6829   YZ=              0.5673
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.5661  YYY=              2.5686  ZZZ=             -3.8086  XYY=             -1.3964
  XXY=              0.1947  XXZ=              0.7607  XZZ=              2.3359  YZZ=             -0.9588
  YYZ=              0.4479  XYZ=             -1.9567
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1438.5765 YYYY=           -463.2904 ZZZZ=           -334.4645 XXXY=              1.4875
 XXXZ=             -4.0833 YYYX=             -5.3448 YYYZ=             -6.0689 ZZZX=             -1.4877
 ZZZY=              5.2870 XXYY=           -313.7745 XXZZ=           -289.1753 YYZZ=           -127.5465
 XXYZ=              6.8653 YYXZ=             -0.8627 ZZXY=              5.7629
 N-N= 5.515317654388D+02 E-N=-2.006206684980D+03  KE= 3.874271484953D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:21:16 2021, MaxMem=  5637144576 cpu:              11.9 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1906   -0.1883        2.1392    2.1408
 2      0.1906    0.1883       -1.2188   -1.2184       -5.9302   -5.9284
 3     -2.1392   -2.1408       15.5631   15.5655        1.2196    1.2184
 4      1.2188    1.2184       -0.0000    0.0000       -2.1405   -2.1408
 5     -9.6329   -9.6371        2.1405    2.1408       -0.1890   -0.1883
 6     -1.2196   -1.2184        0.1890    0.1883        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5649    0.5649        6.4223    6.4223
 2      3.6552    3.6552        0.0000    0.0000        6.4223    6.4223
 3      3.6552    3.6552        0.5649    0.5649       -0.0000    0.0000
 4      0.5649    0.5649       -3.6552   -3.6552      -17.7851  -17.7851
 5     -6.4223   -6.4223       46.6964   46.6964        3.6552    3.6552
 6    -28.9113  -28.9113        6.4223    6.4223       -0.5649   -0.5649
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0308    0.0000        0.7748    0.7532       -8.6057   -8.5630
 2     -0.7783   -0.7532        4.9128    4.8736       23.6996   23.7135
 3      8.5418    8.5630      -62.2970  -62.2618       -4.8134   -4.8736
 4     -4.8835   -4.8736       -0.0001    0.0000        8.5835    8.5630
 5     38.6139   38.5484       -8.5688   -8.5630        0.8077    0.7532
 6      4.8352    4.8736       -0.7544   -0.7532        0.0014    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0180    0.0000       21.7880   21.8375       -9.5069   -9.4877
 2    -21.8699  -21.8375       38.9304   39.0338       18.2468   18.2531
 3      9.3730    9.4877       11.1954   11.1895      -39.0958  -39.0338
 4    -39.0226  -39.0338        0.0128    0.0000        9.5167    9.4877
 5    -29.4100  -29.4426       -9.5308   -9.4877       21.9937   21.8375
 6     39.0484   39.0338      -21.8256  -21.8375       -0.0295    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.6207  -18.7185       24.9137   24.9098       17.6047   17.5316
 2    -82.6115  -82.7672       52.2344   52.2025       17.6546   17.5316
 3    -82.5999  -82.7672       24.9411   24.9098       21.0179   20.8620
 4    -27.2870  -27.2926       64.0295   64.0487       27.2127   27.1123
 5      3.2761    3.3304       15.0045   15.0003      -63.9139  -64.0487
 6    -42.0164  -42.1126       -3.4247   -3.3304       27.5718   27.2926
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.8433                 2.0141                 0.3748
  Dep-P Fr= 1--      0.7389                 0.7460                 0.7431
  Dep-U Fr= 1--      0.8499                 0.8545                 0.8526
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1195                 0.2868                 0.0533
 AlphaG Fr= 1--      0.0012                 0.0039                 0.0015
 Gamma2 Fr= 1--     -0.0514                 0.0682                 0.1845
 Delta2 Fr= 1--      0.0041                -0.0583                -0.0032
 Raman1 Fr= 1--       3.373                  8.056                  1.499
 ROA1   Fr= 1--      -4.809                  4.684                 17.612
 CID1   Fr= 1--      -1.426                  0.581                 11.749
 Raman2 Fr= 1--       1.433                  3.442                  0.639
 ROA2   Fr= 1--      -1.267                  2.103                  4.455
 CID2   Fr= 1--      -0.884                  0.611                  6.971
 Raman3 Fr= 1--       2.867                  6.884                  1.278
 ROA3   Fr= 1--      -4.809                  4.684                 17.612
 CID3   Fr= 1--      -1.677                  0.680                 13.779
 RC180  Fr= 1--       0.700                  0.709                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.1298                 1.1213                 0.5361
  Dep-P Fr= 1--      0.7443                 0.7499                 0.0203
  Dep-U Fr= 1--      0.8534                 0.8571                 0.0398
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0114
 Beta2  Fr= 1--      0.0185                 0.1602                 0.0036
 AlphaG Fr= 1--      0.0014                -0.0004                 0.0138
 Gamma2 Fr= 1--     -0.0422                 0.1294                -0.0083
 Delta2 Fr= 1--     -0.0272                 0.0222                -0.0142
 Raman1 Fr= 1--       0.519                  4.485                  2.144
 ROA1   Fr= 1--      -4.922                 13.131                 -1.250
 CID1   Fr= 1--      -9.476                  2.928                 -0.583
 Raman2 Fr= 1--       0.222                  1.922                  0.043
 ROA2   Fr= 1--      -0.796                  2.928                 -0.086
 CID2   Fr= 1--      -3.591                  1.523                 -2.012
 Raman3 Fr= 1--       0.443                  3.844                  0.085
 ROA3   Fr= 1--      -4.922                 13.131                 -1.250
 CID3   Fr= 1--     -11.104                  3.416                -14.634
 RC180  Fr= 1--       0.707                  0.714                 -0.920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.5902                 0.5018                 1.7271
  Dep-P Fr= 1--      0.7174                 0.7363                 0.4503
  Dep-U Fr= 1--      0.8354                 0.8481                 0.6210
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0106
 Beta2  Fr= 1--      0.0822                 0.0709                 0.1788
 AlphaG Fr= 1--     -0.0022                -0.0047                 0.0005
 Gamma2 Fr= 1--     -0.0276                -0.3771                -0.1122
 Delta2 Fr= 1--      0.1078                -0.0809                 0.0181
 Raman1 Fr= 1--       2.361                  2.007                  6.908
 ROA1   Fr= 1--       0.801                -38.794                -10.195
 CID1   Fr= 1--       0.339                -19.329                 -1.476
 Raman2 Fr= 1--       0.986                  0.851                  2.145
 ROA2   Fr= 1--      -1.525                 -8.404                 -2.838
 CID2   Fr= 1--      -1.546                 -9.874                 -1.323
 Raman3 Fr= 1--       1.972                  1.702                  4.290
 ROA3   Fr= 1--       0.801                -38.794                -10.195
 CID3   Fr= 1--       0.406                -22.790                 -2.376
 RC180  Fr= 1--       0.671                  0.696                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.0219                 2.1567                 1.1110
  Dep-P Fr= 1--      0.1810                 0.4545                 0.6763
  Dep-U Fr= 1--      0.3066                 0.6250                 0.8069
 Alpha2 Fr= 1--      0.0146                 0.0130                 0.0014
 Beta2  Fr= 1--      0.0522                 0.2247                 0.1494
 AlphaG Fr= 1--      0.0097                -0.0057                 0.0062
 Gamma2 Fr= 1--      0.0915                 0.0284                -0.1827
 Delta2 Fr= 1--     -0.1521                 0.1018                -0.1640
 Raman1 Fr= 1--       4.088                  8.627                  4.444
 ROA1   Fr= 1--       3.917                  5.981                -22.784
 CID1   Fr= 1--       0.958                  0.693                 -5.127
 Raman2 Fr= 1--       0.627                  2.696                  1.793
 ROA2   Fr= 1--       3.413                 -0.133                 -3.073
 CID2   Fr= 1--       5.448                 -0.049                 -1.714
 Raman3 Fr= 1--       1.253                  5.392                  3.586
 ROA3   Fr= 1--       3.917                  5.981                -22.784
 CID3   Fr= 1--       3.125                  1.109                 -6.354
 RC180  Fr= 1--      -0.387                  0.250                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.1706                 1.9679                 3.1976
  Dep-P Fr= 1--      0.7125                 0.6588                 0.5295
  Dep-U Fr= 1--      0.8321                 0.7943                 0.6924
 Alpha2 Fr= 1--      0.0001                 0.0032                 0.0137
 Beta2  Fr= 1--      0.0237                 0.2605                 0.3690
 AlphaG Fr= 1--      0.0004                -0.0026                -0.0121
 Gamma2 Fr= 1--      0.0166                 0.1076                -0.3912
 Delta2 Fr= 1--      0.0777                 0.0123                 0.1002
 Raman1 Fr= 1--       0.682                  7.872                 12.791
 ROA1   Fr= 1--       4.078                 10.726                -34.344
 CID1   Fr= 1--       5.975                  1.363                 -2.685
 Raman2 Fr= 1--       0.284                  3.126                  4.428
 ROA2   Fr= 1--      -0.224                  2.484                -10.189
 CID2   Fr= 1--      -0.788                  0.795                 -2.301
 Raman3 Fr= 1--       0.568                  6.252                  8.856
 ROA3   Fr= 1--       4.078                 10.726                -34.344
 CID3   Fr= 1--       7.181                  1.715                 -3.878
 RC180  Fr= 1--       0.664                  0.589                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      8.4497                13.5293                 5.6793
  Dep-P Fr= 1--      0.1586                 0.0712                 0.4527
  Dep-U Fr= 1--      0.2738                 0.1329                 0.6232
 Alpha2 Fr= 1--      0.1278                 0.2540                 0.0344
 Beta2  Fr= 1--      0.3856                 0.2996                 0.5899
 AlphaG Fr= 1--      0.0575                 0.1562                -0.1566
 Gamma2 Fr= 1--     -0.6706                -0.6329                 1.1040
 Delta2 Fr= 1--     -0.2922                -0.7982                 1.0384
 Raman1 Fr= 1--      33.799                 54.117                 22.717
 ROA1   Fr= 1--     -73.727                -86.306                139.210
 CID1   Fr= 1--      -2.181                 -1.595                  6.128
 Raman2 Fr= 1--       4.627                  3.595                  7.079
 ROA2   Fr= 1--     -13.757                 -8.805                 18.188
 CID2   Fr= 1--      -2.973                 -2.449                  2.569
 Raman3 Fr= 1--       9.254                  7.191                 14.158
 ROA3   Fr= 1--     -73.727                -86.306                139.210
 CID3   Fr= 1--      -7.967                -12.002                  9.833
 RC180  Fr= 1--      -0.452                 -0.734                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      1.9193                 5.8327                 0.5372
  Dep-P Fr= 1--      0.5234                 0.0650                 0.4892
  Dep-U Fr= 1--      0.6871                 0.1220                 0.6570
 Alpha2 Fr= 1--      0.0085                 0.1112                 0.0028
 Beta2  Fr= 1--      0.2198                 0.1186                 0.0588
 AlphaG Fr= 1--      0.0725                -0.2429                 0.0061
 Gamma2 Fr= 1--      3.2273                -1.5114                -0.6468
 Delta2 Fr= 1--      1.6527                -0.9759                -0.4483
 Raman1 Fr= 1--       7.677                 23.331                  2.149
 ROA1   Fr= 1--     362.708               -176.323                -76.436
 CID1   Fr= 1--      47.244                 -7.558                -35.571
 Raman2 Fr= 1--       2.638                  1.423                  0.706
 ROA2   Fr= 1--      64.234                -28.466                -11.937
 CID2   Fr= 1--      24.353                -20.003                -16.911
 Raman3 Fr= 1--       5.275                  2.846                  1.412
 ROA3   Fr= 1--     362.708               -176.323                -76.436
 CID3   Fr= 1--      68.756                -61.950                -54.145
 RC180  Fr= 1--       0.374                 -0.756                  0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.4568                 2.3894                 4.9689
  Dep-P Fr= 1--      0.6150                 0.5278                 0.7490
  Dep-U Fr= 1--      0.7616                 0.6909                 0.8565
 Alpha2 Fr= 1--      0.0011                 0.0103                 0.0001
 Beta2  Fr= 1--      0.0580                 0.2751                 0.7093
 AlphaG Fr= 1--      0.0159                 0.0671                 0.0038
 Gamma2 Fr= 1--      0.1809                -0.4249                 0.9507
 Delta2 Fr= 1--     -0.0225                -0.4025                 0.3709
 Raman1 Fr= 1--       1.827                  9.558                 19.876
 ROA1   Fr= 1--      16.648                -53.666                103.136
 CID1   Fr= 1--       9.112                 -5.615                  5.189
 Raman2 Fr= 1--       0.696                  3.302                  8.511
 ROA2   Fr= 1--       4.522                 -6.977                 19.850
 CID2   Fr= 1--       6.500                 -2.113                  2.332
 Raman3 Fr= 1--       1.392                  6.603                 17.023
 ROA3   Fr= 1--      16.648                -53.666                103.136
 CID3   Fr= 1--      11.964                 -8.127                  6.059
 RC180  Fr= 1--       0.523                  0.382                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.1748                 1.2269                 4.0098
  Dep-P Fr= 1--      0.7433                 0.5670                 0.5389
  Dep-U Fr= 1--      0.8527                 0.7237                 0.7004
 Alpha2 Fr= 1--      0.0001                 0.0042                 0.0163
 Beta2  Fr= 1--      0.1670                 0.1480                 0.4681
 AlphaG Fr= 1--     -0.0017                 0.0165                 0.1012
 Gamma2 Fr= 1--      0.2906                 0.3071                -3.6033
 Delta2 Fr= 1--     -0.0146                 0.3161                -1.1539
 Raman1 Fr= 1--       4.699                  4.907                 16.039
 ROA1   Fr= 1--      27.429                 39.599               -382.838
 CID1   Fr= 1--       5.837                  8.069                -23.869
 Raman2 Fr= 1--       2.004                  1.776                  5.617
 ROA2   Fr= 1--       7.091                  4.842                -77.247
 CID2   Fr= 1--       3.539                  2.727                -13.753
 Raman3 Fr= 1--       4.007                  3.552                 11.234
 ROA3   Fr= 1--      27.429                 39.599               -382.838
 CID3   Fr= 1--       6.845                 11.150                -34.079
 RC180  Fr= 1--       0.705                  0.447                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.2584                 3.5919                 1.4881
  Dep-P Fr= 1--      0.4583                 0.2424                 0.5790
  Dep-U Fr= 1--      0.6285                 0.3902                 0.7334
 Alpha2 Fr= 1--      0.0075                 0.0435                 0.0048
 Beta2  Fr= 1--      0.1318                 0.2336                 0.1819
 AlphaG Fr= 1--      0.0052                 0.0184                -0.0508
 Gamma2 Fr= 1--     -0.6366                -0.5278                 1.9189
 Delta2 Fr= 1--     -0.3339                -0.2414                 0.8208
 Raman1 Fr= 1--       5.033                 14.367                  5.952
 ROA1   Fr= 1--     -71.796                -58.398                210.479
 CID1   Fr= 1--     -14.264                 -4.065                 35.361
 Raman2 Fr= 1--       1.582                  2.803                  2.183
 ROA2   Fr= 1--     -12.606                -10.737                 39.487
 CID2   Fr= 1--      -7.970                 -3.830                 18.092
 Raman3 Fr= 1--       3.164                  5.606                  4.365
 ROA3   Fr= 1--     -71.796                -58.398                210.479
 CID3   Fr= 1--     -22.694                -10.416                 48.218
 RC180  Fr= 1--       0.257                 -0.220                  0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.6671                 2.1469                 2.5821
  Dep-P Fr= 1--      0.5424                 0.6075                 0.7397
  Dep-U Fr= 1--      0.7033                 0.7558                 0.8504
 Alpha2 Fr= 1--      0.0106                 0.0056                 0.0005
 Beta2  Fr= 1--      0.3126                 0.2705                 0.3660
 AlphaG Fr= 1--      0.0104                 0.0117                 0.0043
 Gamma2 Fr= 1--     -0.0568                -0.0394                -2.8685
 Delta2 Fr= 1--      0.1373                -0.2216                -1.0849
 Raman1 Fr= 1--      10.669                  8.588                 10.328
 ROA1   Fr= 1--      -1.063                -10.875               -310.091
 CID1   Fr= 1--      -0.100                 -1.266                -30.023
 Raman2 Fr= 1--       3.752                  3.245                  4.392
 ROA2   Fr= 1--      -2.462                  0.827                -60.164
 CID2   Fr= 1--      -0.656                  0.255                -13.700
 Raman3 Fr= 1--       7.504                  6.491                  8.783
 ROA3   Fr= 1--      -1.063                -10.875               -310.091
 CID3   Fr= 1--      -0.142                 -1.675                -35.305
 RC180  Fr= 1--       0.407                  0.512                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.1837                 3.1074                 3.3659
  Dep-P Fr= 1--      0.5836                 0.5874                 0.4072
  Dep-U Fr= 1--      0.7371                 0.7401                 0.5787
 Alpha2 Fr= 1--      0.0068                 0.0094                 0.0243
 Beta2  Fr= 1--      0.2683                 0.3833                 0.3247
 AlphaG Fr= 1--     -0.0100                -0.0147                 0.0372
 Gamma2 Fr= 1--      3.4299                -0.0984                -0.6225
 Delta2 Fr= 1--      2.7710                -0.0941                -0.3685
 Raman1 Fr= 1--       8.735                 12.429                 13.464
 ROA1   Fr= 1--     417.942                -12.460                -71.552
 CID1   Fr= 1--      47.848                 -1.002                 -5.314
 Raman2 Fr= 1--       3.219                  4.599                  3.896
 ROA2   Fr= 1--      60.149                 -1.609                -11.993
 CID2   Fr= 1--      18.685                 -0.350                 -3.078
 Raman3 Fr= 1--       6.438                  9.199                  7.792
 ROA3   Fr= 1--     417.942                -12.460                -71.552
 CID3   Fr= 1--      64.915                 -1.354                 -9.183
 RC180  Fr= 1--       0.474                  0.480                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.1468                 3.7392                 0.8196
  Dep-P Fr= 1--      0.6740                 0.7450                 0.4044
  Dep-U Fr= 1--      0.8053                 0.8538                 0.5759
 Alpha2 Fr= 1--      0.0015                 0.0003                 0.0060
 Beta2  Fr= 1--      0.1539                 0.5321                 0.0787
 AlphaG Fr= 1--     -0.0518                 0.0143                -0.0056
 Gamma2 Fr= 1--      2.0173                -0.5853                -0.0497
 Delta2 Fr= 1--      0.6288                 0.0318                 0.1120
 Raman1 Fr= 1--       4.587                 14.957                  3.279
 ROA1   Fr= 1--     213.778                -55.175                 -1.188
 CID1   Fr= 1--      46.602                 -3.689                 -0.362
 Raman2 Fr= 1--       1.847                  6.385                  0.944
 ROA2   Fr= 1--      43.384                -14.302                 -2.088
 CID2   Fr= 1--      23.489                 -2.240                 -2.212
 Raman3 Fr= 1--       3.694                 12.771                  1.888
 ROA3   Fr= 1--     213.778                -55.175                 -1.188
 CID3   Fr= 1--      57.873                 -4.320                 -0.629
 RC180  Fr= 1--       0.611                  0.708                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     10.3731                 3.1838                 3.1254
  Dep-P Fr= 1--      0.2749                 0.6501                 0.6718
  Dep-U Fr= 1--      0.4312                 0.7880                 0.8037
 Alpha2 Fr= 1--      0.1145                 0.0057                 0.0043
 Beta2  Fr= 1--      0.7455                 0.4181                 0.4186
 AlphaG Fr= 1--     -0.0063                 0.0052                -0.0092
 Gamma2 Fr= 1--      0.3018                 2.0677                -1.6882
 Delta2 Fr= 1--      0.1818                 0.9679                -1.1959
 Raman1 Fr= 1--      41.492                 12.735                 12.501
 ROA1   Fr= 1--      34.790                229.467               -200.340
 CID1   Fr= 1--       0.838                 18.018                -16.025
 Raman2 Fr= 1--       8.946                  5.017                  5.023
 ROA2   Fr= 1--       5.788                 41.881                -30.951
 CID2   Fr= 1--       0.647                  8.347                 -6.161
 Raman3 Fr= 1--      17.893                 10.035                 10.047
 ROA3   Fr= 1--      34.790                229.467               -200.340
 CID3   Fr= 1--       1.944                 22.867                -19.941
 RC180  Fr= 1--      -0.138                  0.576                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     10.7631                 0.7537                 7.9248
  Dep-P Fr= 1--      0.4496                 0.6648                 0.3790
  Dep-U Fr= 1--      0.6203                 0.7986                 0.5497
 Alpha2 Fr= 1--      0.0661                 0.0011                 0.0632
 Beta2  Fr= 1--      1.1127                 0.1003                 0.7260
 AlphaG Fr= 1--      0.0033                 0.0008                -0.0137
 Gamma2 Fr= 1--     -2.9844                 0.0116                -0.6844
 Delta2 Fr= 1--     -1.4938                -0.0401                -0.6031
 Raman1 Fr= 1--      43.052                  3.015                 31.699
 ROA1   Fr= 1--    -334.301                 -0.175                -85.003
 CID1   Fr= 1--      -7.765                 -0.058                 -2.682
 Raman2 Fr= 1--      13.353                  1.204                  8.712
 ROA2   Fr= 1--     -59.675                  0.599                -11.602
 CID2   Fr= 1--      -4.469                  0.497                 -1.332
 Raman3 Fr= 1--      26.706                  2.408                 17.424
 ROA3   Fr= 1--    -334.301                 -0.175                -85.003
 CID3   Fr= 1--     -12.518                 -0.073                 -4.879
 RC180  Fr= 1--       0.241                  0.597                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.3235                11.1914                 3.4716
  Dep-P Fr= 1--      0.1158                 0.1359                 0.6151
  Dep-U Fr= 1--      0.2075                 0.2392                 0.7617
 Alpha2 Fr= 1--      0.0560                 0.1793                 0.0086
 Beta2  Fr= 1--      0.1149                 0.4462                 0.4407
 AlphaG Fr= 1--      0.0131                -0.0019                 0.0128
 Gamma2 Fr= 1--     -0.1542                 1.0276                -1.0151
 Delta2 Fr= 1--     -0.0792                 0.2534                -0.8705
 Raman1 Fr= 1--      13.294                 44.766                 13.886
 ROA1   Fr= 1--     -17.340                106.755               -125.304
 CID1   Fr= 1--      -1.304                  2.385                 -9.024
 Raman2 Fr= 1--       1.379                  5.355                  5.288
 ROA2   Fr= 1--      -3.067                 22.635                -17.398
 CID2   Fr= 1--      -2.224                  4.227                 -3.290
 Raman3 Fr= 1--       2.758                 10.710                 10.577
 ROA3   Fr= 1--     -17.340                106.755               -125.304
 CID3   Fr= 1--      -6.287                  9.968                -11.847
 RC180  Fr= 1--      -0.585                 -0.522                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      7.1042                23.9983                 8.7580
  Dep-P Fr= 1--      0.5330                 0.5119                 0.6973
  Dep-U Fr= 1--      0.6953                 0.6772                 0.8217
 Alpha2 Fr= 1--      0.0298                 0.1120                 0.0081
 Beta2  Fr= 1--      0.8233                 2.7086                 1.1993
 AlphaG Fr= 1--      0.0503                -0.1100                 0.0430
 Gamma2 Fr= 1--      0.3282                 3.1378                -3.4085
 Delta2 Fr= 1--      2.0997                 1.4582                -2.5232
 Raman1 Fr= 1--      28.417                 95.993                 35.032
 ROA1   Fr= 1--      98.696                347.888               -407.964
 CID1   Fr= 1--       3.473                  3.624                -11.646
 Raman2 Fr= 1--       9.880                 32.503                 14.392
 ROA2   Fr= 1--      -8.920                 63.641                -61.619
 CID2   Fr= 1--      -0.903                  1.958                 -4.281
 Raman3 Fr= 1--      19.759                 65.006                 28.784
 ROA3   Fr= 1--      98.696                347.888               -407.964
 CID3   Fr= 1--       4.995                  5.352                -14.173
 RC180  Fr= 1--       0.391                  0.354                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     12.3938                 0.5984                 1.1791
  Dep-P Fr= 1--      0.4896                 0.7034                 0.7310
  Dep-U Fr= 1--      0.6573                 0.8259                 0.8446
 Alpha2 Fr= 1--      0.0642                 0.0005                 0.0004
 Beta2  Fr= 1--      1.3578                 0.0824                 0.1660
 AlphaG Fr= 1--      0.0154                -0.0004                -0.0028
 Gamma2 Fr= 1--      0.7177                 0.2938                 0.5072
 Delta2 Fr= 1--      0.7703                 0.0079                 0.2510
 Raman1 Fr= 1--      49.575                  2.394                  4.716
 ROA1   Fr= 1--      93.552                 28.459                 56.725
 CID1   Fr= 1--       1.887                 11.890                 12.027
 Raman2 Fr= 1--      16.294                  0.988                  1.992
 ROA2   Fr= 1--      11.063                  6.988                 10.166
 CID2   Fr= 1--       0.679                  7.070                  5.104
 Raman3 Fr= 1--      32.588                  1.977                  3.984
 ROA3   Fr= 1--      93.552                 28.459                 56.725
 CID3   Fr= 1--       2.871                 14.397                 14.240
 RC180  Fr= 1--       0.315                  0.652                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      4.0917                61.2229               112.9171
  Dep-P Fr= 1--      0.7498                 0.1345                 0.1605
  Dep-U Fr= 1--      0.8570                 0.2372                 0.2766
 Alpha2 Fr= 1--      0.0000                 0.9840                 1.6995
 Beta2  Fr= 1--      0.5844                 2.4201                 5.2058
 AlphaG Fr= 1--      0.0001                -0.0898                 0.3720
 Gamma2 Fr= 1--     -0.0065                -0.0345                -0.9135
 Delta2 Fr= 1--      0.1621                -0.4395                -2.3694
 Raman1 Fr= 1--      16.367                244.892                451.669
 ROA1   Fr= 1--       4.566                -17.372               -163.514
 CID1   Fr= 1--       0.279                 -0.071                 -0.362
 Raman2 Fr= 1--       7.013                 29.041                 62.470
 ROA2   Fr= 1--      -1.453                  2.688                 -2.967
 CID2   Fr= 1--      -0.207                  0.093                 -0.048
 Raman3 Fr= 1--      14.026                 58.082                124.940
 ROA3   Fr= 1--       4.566                -17.372               -163.514
 CID3   Fr= 1--       0.326                 -0.299                 -1.309
 RC180  Fr= 1--       0.714                 -0.526                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    149.7651               112.5594               253.6273
  Dep-P Fr= 1--      0.1731                 0.2037                 0.0529
  Dep-U Fr= 1--      0.2952                 0.3384                 0.1005
 Alpha2 Fr= 1--      2.1820                 1.5137                 4.9751
 Beta2  Fr= 1--      7.3677                 6.3489                 4.2495
 AlphaG Fr= 1--     -0.6334                -0.3075                 0.0661
 Gamma2 Fr= 1--      2.1715               -25.3382                30.1836
 Delta2 Fr= 1--      2.0489               -14.0653                12.0603
 Raman1 Fr= 1--     599.060                450.238               1014.509
 ROA1   Fr= 1--     274.032              -2882.557               3283.551
 CID1   Fr= 1--       0.457                 -6.402                  3.237
 Raman2 Fr= 1--      88.412                 76.187                 50.994
 ROA2   Fr= 1--      35.726               -495.594                627.924
 CID2   Fr= 1--       0.404                 -6.505                 12.314
 Raman3 Fr= 1--     176.825                152.374                101.988
 ROA3   Fr= 1--     274.032              -2882.557               3283.551
 CID3   Fr= 1--       1.550                -18.918                 32.195
 RC180  Fr= 1--      -0.410                 -0.323                 -0.799
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    110.0491               175.5449               329.5543
  Dep-P Fr= 1--      0.7428                 0.0294                 0.0293
  Dep-U Fr= 1--      0.8524                 0.0571                 0.0569
 Alpha2 Fr= 1--      0.0135                 3.6411                 6.8372
 Beta2  Fr= 1--     15.6344                 1.6709                 3.1259
 AlphaG Fr= 1--      0.0512                 0.2142                -0.4857
 Gamma2 Fr= 1--    -12.1677                 2.3445                 2.6332
 Delta2 Fr= 1--      1.0320                -0.5264                -1.7021
 Raman1 Fr= 1--     440.196                702.179               1318.217
 ROA1   Fr= 1--   -1135.074                208.227                198.315
 CID1   Fr= 1--      -2.579                  0.297                  0.150
 Raman2 Fr= 1--     187.613                 20.051                 37.511
 ROA2   Fr= 1--    -300.280                 60.480                 76.813
 CID2   Fr= 1--      -1.601                  3.016                  2.048
 Raman3 Fr= 1--     375.227                 40.103                 75.022
 ROA3   Fr= 1--   -1135.074                208.227                198.315
 CID3   Fr= 1--      -3.025                  5.192                  2.643
 RC180  Fr= 1--       0.705                 -0.886                 -0.886
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--     98.6312                19.1761               149.5904
  Dep-P Fr= 1--      0.7403                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8508                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0163                 0.0000                 0.0020
 Beta2  Fr= 1--     13.9854                 2.7394                21.3575
 AlphaG Fr= 1--      0.1956                 0.0005                 0.0389
 Gamma2 Fr= 1--      3.0333                 0.4961                 0.4425
 Delta2 Fr= 1--      4.9793                 0.0443                 2.8841
 Raman1 Fr= 1--     394.525                 76.704                598.362
 ROA1   Fr= 1--     450.535                 49.043                134.775
 CID1   Fr= 1--       1.142                  0.639                  0.225
 Raman2 Fr= 1--     167.825                 32.872                256.290
 ROA2   Fr= 1--      32.965                 11.551                -12.452
 CID2   Fr= 1--       0.196                  0.351                 -0.049
 Raman3 Fr= 1--     335.651                 65.745                512.579
 ROA3   Fr= 1--     450.535                 49.043                134.775
 CID3   Fr= 1--       1.342                  0.746                  0.263
 RC180  Fr= 1--       0.702                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     53.0732                58.4751                45.4595
  Dep-P Fr= 1--      0.7469                 0.6986                 0.4839
  Dep-U Fr= 1--      0.8551                 0.8225                 0.6522
 Alpha2 Fr= 1--      0.0028                 0.0525                 0.2415
 Beta2  Fr= 1--      7.5639                 8.0164                 4.9416
 AlphaG Fr= 1--      0.0047                -0.0802                -0.3043
 Gamma2 Fr= 1--      0.7726                -2.3456                -4.1472
 Delta2 Fr= 1--     -0.3879                -1.6063                 0.0592
 Raman1 Fr= 1--     212.293                233.900                181.838
 ROA1   Fr= 1--      61.758               -276.583               -396.239
 CID1   Fr= 1--       0.291                 -1.182                 -2.179
 Raman2 Fr= 1--      90.766                 96.196                 59.300
 ROA2   Fr= 1--      21.646                -43.445               -100.007
 CID2   Fr= 1--       0.238                 -0.452                 -1.686
 Raman3 Fr= 1--     181.533                192.393                118.599
 ROA3   Fr= 1--      61.758               -276.583               -396.239
 CID3   Fr= 1--       0.340                 -1.438                 -3.341
 RC180  Fr= 1--       0.710                  0.645                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     73.6788               128.8677               213.4250
  Dep-P Fr= 1--      0.7246                 0.2694                 0.0804
  Dep-U Fr= 1--      0.8403                 0.4245                 0.1488
 Alpha2 Fr= 1--      0.0321                 1.4455                 3.9194
 Beta2  Fr= 1--     10.3191                 9.1169                 5.2934
 AlphaG Fr= 1--     -0.0536                -0.0225                -0.0891
 Gamma2 Fr= 1--     -2.2120                -2.6519                -0.4230
 Delta2 Fr= 1--      0.2761                -0.7637                 0.4933
 Raman1 Fr= 1--     294.715                515.471                853.700
 ROA1   Fr= 1--    -203.520               -279.016                -24.823
 CID1   Fr= 1--      -0.691                 -0.541                 -0.029
 Raman2 Fr= 1--     123.829                109.403                 63.521
 ROA2   Fr= 1--     -55.298                -57.535                -14.098
 CID2   Fr= 1--      -0.447                 -0.526                 -0.222
 Raman3 Fr= 1--     247.659                218.805                127.041
 ROA3   Fr= 1--    -203.520               -279.016                -24.823
 CID3   Fr= 1--      -0.822                 -1.275                 -0.195
 RC180  Fr= 1--       0.681                 -0.151                 -0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134510D+03  0.428152D+01  0.376575D+00
      2   0.428152D+01  0.122653D+03  0.243681D+01
      3   0.376575D+00  0.243681D+01  0.103379D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.104181D+01  0.740941D+00  0.347413D+01
      2   0.874672D+01 -0.808473D+01  0.106271D+02
      3   0.183634D+02  0.284067D+02  0.663655D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.201739D+02 -0.504357D+02  0.733536D+01
      2   0.727674D+00  0.486690D+02 -0.135266D+02
      3   0.194462D+02  0.176672D+01  0.619128D+01
      4  -0.455611D+02 -0.484251D+02 -0.218028D+02
      5   0.228286D+02 -0.197842D+02  0.343421D+02
      6  -0.102653D+02  0.529704D+01 -0.206513D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295388D+01 -0.600982D+00 -0.174677D+01  0.151035D+00 -0.199533D+01
      2  -0.600982D+00 -0.454361D+00 -0.117367D+01 -0.199533D+01 -0.425343D+01
      3  -0.174677D+01 -0.117367D+01 -0.423468D+01 -0.158849D-01  0.280867D-01
                 6             7             8             9            10 
      1  -0.158849D-01 -0.356423D+01 -0.235201D+01 -0.401715D+01 -0.239084D+01
      2   0.280867D-01 -0.235201D+01  0.187492D+01  0.103552D+01  0.122709D+01
      3   0.141691D+01 -0.401715D+01  0.103552D+01  0.216240D+00 -0.316292D-01
                11            12            13            14            15 
      1   0.122709D+01 -0.316292D-01  0.436090D+00 -0.193782D+01  0.120529D+01
      2  -0.124425D+01  0.294021D+01 -0.193782D+01  0.508042D+01  0.610502D+00
      3   0.294021D+01 -0.276160D+01  0.120529D+01  0.610502D+00  0.660300D+00
                16            17            18            19            20 
      1  -0.269881D+00  0.453748D+01 -0.220290D+01  0.151295D+00 -0.962405D+00
      2   0.453748D+01  0.700517D+00  0.105903D+01 -0.962405D+00 -0.104679D+01
      3  -0.220290D+01  0.105903D+01  0.684558D-01  0.542478D+00  0.116281D+01
                21            22            23            24            25 
      1   0.542478D+00 -0.840523D+00  0.301859D+00  0.989060D+00  0.976417D+00
      2   0.116281D+01  0.301859D+00  0.976395D+01 -0.245673D+00  0.934422D+00
      3   0.165184D+01  0.989060D+00 -0.245673D+00  0.254038D+01  0.303723D+01
                26            27            28            29            30 
      1   0.934422D+00  0.303723D+01 -0.543701D+01 -0.303073D+01 -0.375855D+00
      2  -0.746367D+00  0.478796D+01 -0.303073D+01 -0.342699D+01 -0.845403D+00
      3   0.478796D+01  0.350768D+01 -0.375855D+00 -0.845403D+00 -0.112916D+01
                31            32            33            34            35 
      1  -0.413053D+01 -0.594195D+01 -0.192875D+01 -0.103952D+01 -0.148030D+01
      2  -0.594195D+01 -0.176840D+02 -0.793218D+00 -0.148030D+01 -0.172526D+01
      3  -0.192875D+01 -0.793218D+00 -0.361821D+01 -0.262272D+01 -0.301425D+01
                36            37            38            39            40 
      1  -0.262272D+01  0.351435D+01  0.939236D+00  0.798172D+00 -0.101637D+00
      2  -0.301425D+01  0.939236D+00  0.440448D+01  0.262606D+01  0.604613D+01
      3  -0.157280D+01  0.798172D+00  0.262606D+01  0.197456D+01  0.211375D+01
                41            42            43            44            45 
      1   0.604613D+01  0.211375D+01  0.125063D+01  0.239473D+01  0.404686D+01
      2   0.502415D+01 -0.292035D+01  0.239473D+01 -0.325293D+01  0.411170D+01
      3  -0.292035D+01  0.251545D+01  0.404686D+01  0.411170D+01  0.125792D+01
                46            47            48            49            50 
      1   0.558311D+01  0.208812D+01 -0.438389D+00  0.379682D+01  0.694142D+01
      2   0.208812D+01  0.680418D+01  0.262688D+01  0.694142D+01  0.144365D+02
      3  -0.438389D+00  0.262688D+01  0.153398D+01  0.247274D+01 -0.689806D+00
                51            52            53            54            55 
      1   0.247274D+01  0.121526D+00  0.314999D+01  0.176056D+01 -0.154290D+01
      2  -0.689806D+00  0.314999D+01 -0.115764D+01  0.342810D+01 -0.167224D+01
      3   0.270914D+01  0.176056D+01  0.342810D+01  0.188044D+01 -0.571479D+00
                56            57            58            59            60 
      1  -0.167224D+01 -0.571479D+00 -0.181006D+01 -0.360507D+01 -0.158392D+01
      2  -0.355627D+01 -0.226381D+01 -0.360507D+01 -0.878196D+01  0.108182D+01
      3  -0.226381D+01 -0.674718D+00 -0.158392D+01  0.108182D+01 -0.278029D+01
                61            62            63            64            65 
      1  -0.663957D+00 -0.211388D+01 -0.120857D+01  0.350036D+01 -0.282047D-01
      2  -0.211388D+01  0.130162D+01 -0.562997D+01 -0.282047D-01  0.131973D+01
      3  -0.120857D+01 -0.562997D+01 -0.173511D+01  0.369796D+01 -0.651827D+00
                66            67            68            69            70 
      1   0.369796D+01  0.103120D+00  0.499648D+01 -0.105775D+00  0.632020D+01
      2  -0.651827D+00  0.499648D+01 -0.392737D+01  0.240745D+01 -0.702096D+00
      3   0.405031D+01 -0.105775D+00  0.240745D+01  0.139427D+00  0.466384D+01
                71            72            73            74            75 
      1  -0.702096D+00  0.466384D+01  0.190407D+01 -0.127284D+01 -0.143027D+01
      2   0.205380D+01  0.905829D-01 -0.127284D+01  0.897392D+00  0.919153D+00
      3   0.905829D-01 -0.571908D-01 -0.143027D+01  0.919153D+00  0.257873D+01
                76            77            78            79            80 
      1  -0.136475D+01  0.539407D+00  0.550787D+00 -0.196061D+01  0.948772D+00
      2   0.539407D+00 -0.167713D+01 -0.198814D+01  0.948772D+00 -0.225023D+01
      3   0.550787D+00 -0.198814D+01 -0.276159D+01  0.202296D+01 -0.275863D+01
                81            82            83            84            85 
      1   0.202296D+01  0.371112D+01  0.172325D+01 -0.179729D+01  0.169143D+01
      2  -0.275863D+01  0.172325D+01  0.192103D+01 -0.174941D+01  0.127613D+01
      3  -0.615516D+01 -0.179729D+01 -0.174941D+01  0.248601D+01 -0.129262D+01
                86            87            88            89            90 
      1   0.127613D+01 -0.129262D+01 -0.245804D+01 -0.171995D+01  0.211965D+01
      2   0.325574D+01 -0.197011D+01 -0.171995D+01 -0.222490D+01  0.204584D+01
      3  -0.197011D+01  0.177202D+01  0.211965D+01  0.204584D+01 -0.326153D+01
                91            92            93            94            95 
      1  -0.443261D+01 -0.183075D+01 -0.206294D+01 -0.261356D+01 -0.284545D+01
      2  -0.183075D+01 -0.149611D+01 -0.113611D+01 -0.284545D+01 -0.300138D+01
      3  -0.206294D+01 -0.113611D+01 -0.183030D+01 -0.111667D+01 -0.103945D+01
                96            97            98            99           100 
      1  -0.111667D+01 -0.529053D+01 -0.275467D+01 -0.326076D+01 -0.580683D+01
      2  -0.103945D+01 -0.275467D+01 -0.230346D+01 -0.265613D+01  0.180114D+01
      3  -0.171266D+01 -0.326076D+01 -0.265613D+01 -0.432152D+01  0.148314D+01
               101           102           103           104           105 
      1   0.180114D+01  0.148314D+01  0.496453D+01 -0.193730D+01 -0.142710D+01
      2  -0.140163D+01 -0.659757D+00 -0.193730D+01  0.194953D+01  0.910533D+00
      3  -0.659757D+00 -0.137628D+01 -0.142710D+01  0.910533D+00  0.110188D+01
               106           107           108           109           110 
      1   0.247370D+01 -0.799007D+00 -0.190441D+01 -0.455598D+00 -0.730851D+00
      2  -0.799007D+00  0.963419D+00  0.394594D+00 -0.730851D+00  0.866480D-01
      3  -0.190441D+01  0.394594D+00  0.136368D+01  0.383740D+00 -0.314641D+00
               111           112           113           114           115 
      1   0.383740D+00 -0.313413D+01 -0.303076D+01  0.820048D+00  0.191833D+01
      2  -0.314641D+00 -0.303076D+01 -0.669668D+01  0.304713D+01  0.108897D+01
      3  -0.210326D+00  0.820048D+00  0.304713D+01 -0.256223D+01 -0.177959D+01
               116           117           118           119           120 
      1   0.108897D+01 -0.177959D+01  0.174847D+01  0.130186D+01  0.120580D+01
      2   0.378714D+01 -0.317997D+01  0.130186D+01  0.191124D+01  0.126030D+01
      3  -0.317997D+01  0.290327D+01  0.120580D+01  0.126030D+01  0.113977D+01
               121           122           123           124           125 
      1   0.140977D+01  0.175681D+01  0.688348D+00  0.266723D+01  0.149337D+01
      2   0.175681D+01  0.588166D+01  0.211659D+01  0.149337D+01  0.480330D+01
      3   0.688348D+00  0.211659D+01  0.195306D+01  0.134809D+01  0.415181D+01
               126           127           128           129           130 
      1   0.134809D+01 -0.380181D+00  0.110978D+01 -0.610931D+00  0.185441D+01
      2   0.415181D+01  0.110978D+01 -0.977123D+00  0.641987D+00  0.689821D+00
      3   0.433875D+01 -0.610931D+00  0.641987D+00 -0.101488D+00  0.158138D+00
               131           132           133           134           135 
      1   0.689821D+00  0.158138D+00 -0.144514D+01  0.293099D+00  0.275529D+00
      2   0.102519D+02 -0.321915D+01  0.293099D+00 -0.518121D+01  0.366366D+01
      3  -0.321915D+01  0.208571D+01  0.275529D+00  0.366366D+01 -0.227095D+01
               136           137           138           139           140 
      1   0.528354D+01 -0.192750D+01 -0.228127D+01 -0.225338D+01 -0.293342D+01
      2  -0.192750D+01 -0.182146D+01 -0.772865D+00 -0.293342D+01  0.466393D+01
      3  -0.228127D+01 -0.772865D+00 -0.275088D+01 -0.807525D+00 -0.460382D+01
               141           142           143           144           145 
      1  -0.807525D+00 -0.319488D+01 -0.412098D+00 -0.327712D+01 -0.101522D+01
      2  -0.460382D+01 -0.412098D+00 -0.343903D+01 -0.115375D+01 -0.150918D+01
      3  -0.158108D+01 -0.327712D+01 -0.115375D+01 -0.438384D+00 -0.271074D+01
               146           147           148           149           150 
      1  -0.150918D+01 -0.271074D+01 -0.186905D+01 -0.541673D+01 -0.643806D+00
      2  -0.329452D+01 -0.446281D+00 -0.541673D+01  0.511153D+01 -0.233722D+01
      3  -0.446281D+00 -0.252658D+01 -0.643806D+00 -0.233722D+01 -0.168824D+01
               151           152           153           154           155 
      1  -0.298610D+01 -0.678825D+00 -0.363014D+01 -0.725166D+01  0.104220D+01
      2  -0.678825D+00 -0.266635D+01 -0.159763D+01  0.104220D+01 -0.784319D+00
      3  -0.363014D+01 -0.159763D+01  0.496206D+01  0.748969D+00  0.401097D+00
               156           157           158           159           160 
      1   0.748969D+00  0.141516D+01 -0.291631D+00  0.229511D+00  0.973913D+00
      2   0.401097D+00 -0.291631D+00 -0.241719D+00  0.623318D+00  0.138049D+00
      3  -0.247856D+01  0.229511D+00  0.623318D+00  0.701019D+00 -0.108295D+01
               161           162           163           164           165 
      1   0.138049D+00 -0.108295D+01  0.248570D+01  0.118924D+01  0.248486D+01
      2   0.619638D+00  0.325614D+00  0.118924D+01  0.129572D+01  0.964275D+00
      3   0.325614D+00  0.998053D+00  0.248486D+01  0.964275D+00  0.346550D+01
               166           167           168           169           170 
      1   0.207389D+01  0.145400D+01  0.162181D+01  0.196850D+01  0.770462D+00
      2   0.145400D+01  0.146390D+01  0.226219D+01  0.770462D+00  0.152835D+01
      3   0.162181D+01  0.226219D+01  0.362500D+01  0.245016D+01  0.167071D+01
               171           172           173           174           175 
      1   0.245016D+01  0.661053D+00 -0.100165D+01  0.104761D+01 -0.157503D+01
      2   0.167071D+01 -0.100165D+01  0.129543D+01 -0.492846D+00  0.186138D+01
      3   0.508597D+01  0.104761D+01 -0.492846D+00  0.118360D+01 -0.850718D+00
               176           177           178           179           180 
      1   0.186138D+01 -0.850718D+00  0.632863D+00 -0.313854D+00  0.859458D+00
      2  -0.665719D+01  0.372415D+01 -0.313854D+00  0.186259D+01 -0.159137D+01
      3   0.372415D+01 -0.337172D+01  0.859458D+00 -0.159137D+01  0.213515D+01
               181           182           183           184           185 
      1   0.134648D+01  0.337300D+00 -0.130376D+01  0.851692D+00  0.903684D+00
      2   0.337300D+00  0.532456D+00  0.113379D-01  0.903684D+00 -0.185077D+00
      3  -0.130376D+01  0.113379D-01  0.152321D+01 -0.212218D+00 -0.516389D+00
               186           187           188           189           190 
      1  -0.212218D+00 -0.348075D+01  0.132776D+00  0.306566D+01  0.241487D+01
      2  -0.516389D+00  0.132776D+00 -0.951688D+00  0.488304D+00 -0.160541D+01
      3   0.868711D+00  0.306566D+01  0.488304D+00 -0.675213D+01  0.586049D+00
               191           192           193           194           195 
      1  -0.160541D+01  0.586049D+00 -0.444062D+01  0.437809D+01 -0.388630D+00
      2   0.175105D+01 -0.239833D+00  0.437809D+01 -0.741318D+01  0.121706D+01
      3  -0.239833D+00  0.467932D+00 -0.388630D+00  0.121706D+01 -0.128330D+01
               196           197           198           199           200 
      1   0.158226D+01 -0.689599D+00  0.116666D+01  0.617057D+01  0.183389D+01
      2  -0.689599D+00  0.143190D+01 -0.903486D+00  0.183389D+01  0.162432D+01
      3   0.116666D+01 -0.903486D+00  0.373870D+00  0.201365D+01  0.763278D+00
               201           202           203           204           205 
      1   0.201365D+01  0.470432D+01  0.267860D+01  0.130586D+01  0.438599D+01
      2   0.763278D+00  0.267860D+01  0.176933D+01  0.130584D+01  0.103424D+01
      3   0.158761D+01  0.130586D+01  0.130584D+01  0.165207D+01  0.241972D+01
               206           207           208           209           210 
      1   0.103424D+01  0.241972D+01  0.116479D+00 -0.881493D+00  0.387244D+00
      2   0.151387D+01  0.106302D+01 -0.881493D+00 -0.130388D-01 -0.374924D+00
      3   0.106302D+01  0.181179D+01  0.387244D+00 -0.374924D+00 -0.196174D+00
               211           212           213           214           215 
      1  -0.178552D+01 -0.549207D+00  0.653724D-01  0.163536D+01  0.203264D+00
      2  -0.549207D+00 -0.915497D+01  0.149448D+01  0.203264D+00  0.421716D+01
      3   0.653724D-01  0.149448D+01 -0.144431D+01 -0.555376D+00 -0.242564D+01
               216           217           218           219           220 
      1  -0.555376D+00 -0.191595D+01 -0.943878D+00 -0.174594D+01 -0.686691D+00
      2  -0.242564D+01 -0.943878D+00 -0.174113D+01 -0.170142D+01 -0.992815D+00
      3   0.947974D+00 -0.174594D+01 -0.170142D+01 -0.201558D+01 -0.794101D+00
               221           222           223           224           225 
      1  -0.992815D+00 -0.794101D+00 -0.273049D+01 -0.139786D+01 -0.215899D+01
      2  -0.381879D+01 -0.217487D+01 -0.139786D+01 -0.305142D+01 -0.414281D+01
      3  -0.217487D+01 -0.220217D+01 -0.215899D+01 -0.414281D+01 -0.636916D+01
               226           227           228           229           230 
      1  -0.500878D+01  0.340499D+01  0.172760D+01  0.315323D+01 -0.234633D+01
      2   0.340499D+01 -0.258571D+01 -0.149458D+01 -0.234633D+01  0.484028D+01
      3   0.172760D+01 -0.149458D+01 -0.135672D+01 -0.105299D+01  0.166904D+01
               231           232           233           234 
      1  -0.105299D+01  0.217721D+01 -0.170549D+01 -0.153574D+01
      2   0.166904D+01 -0.170549D+01  0.229227D+01  0.737189D+00
      3   0.126471D+01 -0.153574D+01  0.737189D+00  0.108263D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.623299D+00  0.739764D+00 -0.108473D+01  0.109735D+01  0.100202D+02
      2  -0.344868D+01 -0.278345D+00 -0.367656D+01 -0.662452D+00 -0.411771D+01
      3   0.831053D+00 -0.294220D+01  0.185457D+01  0.748611D+01  0.865870D+01
                 6             7             8             9            10 
      1  -0.100695D+01  0.162019D+01  0.192485D+01  0.548824D+00 -0.133069D+01
      2  -0.198248D+00 -0.131491D+02 -0.316468D+01 -0.569996D+01 -0.180041D+01
      3   0.315909D+01  0.626178D+01 -0.368291D+00  0.384899D+01 -0.179309D+01
                11            12            13            14            15 
      1  -0.351877D+01 -0.384169D+00 -0.182099D+01 -0.961382D+01 -0.403152D+01
      2   0.425866D+01 -0.133784D+01  0.262159D+01  0.546069D+00  0.206926D+01
      3  -0.463989D+01 -0.349106D+01  0.801500D+01 -0.124041D+02  0.219581D+01
                16            17            18            19            20 
      1  -0.439895D+01  0.162808D+01 -0.224004D+01  0.135629D+01  0.380090D+01
      2  -0.636887D+01  0.656552D+01 -0.606190D+00 -0.234872D+01 -0.701279D+00
      3  -0.704420D+01  0.324902D+01 -0.506464D+01 -0.139039D+01 -0.466631D+01
                21            22            23            24            25 
      1   0.223095D+01  0.202280D+01 -0.988777D+01  0.461953D+01  0.444171D+01
      2   0.462324D+00 -0.151856D+01 -0.828355D+00 -0.395876D+01 -0.593068D+01
      3   0.379178D+00  0.395399D+01  0.148162D+02 -0.861841D+00  0.181419D+01
                26            27            28            29            30 
      1   0.174895D+02  0.376027D+01 -0.371084D-01 -0.477401D+00  0.259451D+00
      2  -0.491054D+01 -0.195833D+01 -0.140630D+01  0.563463D+01  0.259791D+01
      3  -0.298643D+01  0.298970D+01 -0.122111D+02 -0.190404D+02 -0.473930D+01
                31            32            33            34            35 
      1   0.832740D-01 -0.382613D+01  0.263945D+00  0.119810D+01  0.107645D+02
      2   0.723028D+01  0.375983D+01  0.971056D+01 -0.341239D+01  0.694272D+01
      3  -0.146270D+02 -0.432744D+02 -0.291694D+01 -0.715254D+01 -0.465601D+01
                36            37            38            39            40 
      1   0.228601D+01  0.164162D+01  0.461810D+01  0.405325D+01  0.353625D+01
      2   0.554028D+01 -0.446570D+01 -0.112724D+02 -0.495723D+01 -0.771847D+01
      3  -0.777698D+01 -0.213561D+01  0.125556D+02  0.900213D+01  0.255205D+02
                41            42            43            44            45 
      1  -0.318342D+01  0.177264D+01  0.851260D+01  0.911638D+01  0.256403D+01
      2   0.100469D+02 -0.963695D+01 -0.197909D+02 -0.191674D+02 -0.587262D+01
      3   0.141905D+02 -0.133001D+02  0.653560D+01 -0.159903D+02  0.116686D+02
                46            47            48            49            50 
      1  -0.358342D+00 -0.202698D+01 -0.146806D+01 -0.110788D+01  0.532425D+01
      2  -0.246320D+01 -0.435019D+01 -0.340556D+01 -0.300700D+01 -0.118373D+01
      3   0.554736D+01  0.921319D+01  0.443134D+01  0.199419D+02  0.463218D+02
                51            52            53            54            55 
      1  -0.343344D+01  0.392745D+00  0.120081D+01 -0.103533D+01  0.153174D+01
      2  -0.753371D+01 -0.133896D+02 -0.106817D+02 -0.408325D+01 -0.205119D+01
      3   0.291468D+01  0.628506D+01  0.296561D+01  0.970749D+01 -0.459447D+01
                56            57            58            59            60 
      1   0.617456D+01  0.195952D+01  0.334024D+01 -0.512315D+01  0.628373D+01
      2   0.739163D+00  0.143513D+01  0.750488D+00  0.712903D+00  0.410022D+00
      3  -0.101987D+02 -0.311366D+01 -0.334123D+01 -0.134562D+02 -0.271006D+01
                61            62            63            64            65 
      1   0.577654D+01  0.219479D+02  0.635945D+01  0.204149D+01  0.292174D+01
      2  -0.280639D+01 -0.178481D+01  0.616171D+00  0.135471D+02 -0.298995D+01
      3  -0.552148D+01 -0.540578D+01 -0.517985D+01 -0.155228D+00 -0.868957D+01
                66            67            68            69            70 
      1   0.172035D+01 -0.431348D+01  0.113119D+01 -0.542216D+01  0.415129D+00
      2   0.139427D+02 -0.129148D+00  0.660742D+01  0.119153D+01  0.402809D+01
      3   0.609164D+00 -0.656905D+01  0.773107D+01 -0.519090D+01 -0.577627D+00
                71            72            73            74            75 
      1   0.585680D+01 -0.385006D+00  0.501140D+00 -0.801231D+00  0.129263D+01
      2   0.886719D+00 -0.163711D+01  0.291208D+01 -0.984617D+00  0.152670D+01
      3  -0.552627D+01 -0.189511D+01 -0.613809D+00 -0.136648D+01  0.270835D+00
                76            77            78            79            80 
      1  -0.132978D-01  0.123756D+01 -0.892897D+00  0.707437D+00  0.364866D+01
      2  -0.201420D+01 -0.110778D+01 -0.193055D+01 -0.427191D+01 -0.585682D+00
      3   0.315127D+01  0.616964D+00  0.125538D+01  0.213733D+01  0.228731D+01
                81            82            83            84            85 
      1  -0.159646D+01  0.115485D+01 -0.395815D+00 -0.202593D+01  0.448803D+00
      2  -0.167696D+01  0.237205D+01 -0.757326D+00  0.299448D+01  0.280929D-01
      3   0.492648D+00  0.373520D+01 -0.225650D+01 -0.123805D+00  0.332119D+01
                86            87            88            89            90 
      1  -0.156774D+01 -0.186425D+01 -0.144223D+01  0.175183D+01  0.288223D+01
      2  -0.100871D+01  0.125554D+01 -0.244786D+01  0.427401D-04 -0.212476D+01
      3  -0.265065D+01  0.715229D+00 -0.192817D+01  0.176670D+01  0.101297D+01
                91            92            93            94            95 
      1  -0.326390D+01 -0.146773D+01 -0.279026D+01 -0.209881D+01 -0.972634D+00
      2   0.730517D+01  0.440652D+01  0.834906D+01  0.424667D+01  0.398856D+01
      3  -0.250209D+01 -0.599087D+01 -0.255884D+01 -0.608968D+01 -0.873470D+01
                96            97            98            99           100 
      1  -0.327544D+01 -0.484147D+01 -0.239306D+01 -0.562403D+01  0.217017D+01
      2   0.704062D+01  0.998728D+01  0.992445D+01  0.168410D+02 -0.389150D+01
      3  -0.246643D+01 -0.354326D+01 -0.645426D+01 -0.657469D+01  0.109975D+02
               101           102           103           104           105 
      1  -0.176207D+01 -0.100248D+01 -0.153997D+01  0.235772D+01 -0.297415D+00
      2   0.212454D+01  0.648494D+01  0.335704D+01 -0.306169D+01 -0.481517D+01
      3  -0.861464D+01 -0.405855D+01 -0.771549D+01  0.103384D+02  0.437055D+01
               106           107           108           109           110 
      1  -0.184068D+01  0.160189D+01  0.714917D+00 -0.288641D+00 -0.892979D+00
      2   0.433822D+01 -0.125399D+01 -0.477606D+01 -0.137596D+01  0.187147D+01
      3  -0.463412D+01  0.541468D+01  0.255201D+01 -0.278759D+01 -0.701223D+00
               111           112           113           114           115 
      1  -0.274210D+00  0.100573D+01  0.950768D+00 -0.419678D+01 -0.246864D+01
      2   0.114368D+01 -0.130604D+01 -0.103511D+02  0.957332D+01  0.351758D+01
      3  -0.125255D+01 -0.572592D+01 -0.219653D+02  0.103931D+02  0.142413D+01
               116           117           118           119           120 
      1  -0.146152D+01  0.320414D+01 -0.420468D+01 -0.321946D+01 -0.389485D+01
      2   0.107677D+02 -0.100014D+02 -0.134630D+01 -0.965311D+00  0.918541D+00
      3   0.140246D+02 -0.988046D+01  0.582919D+01  0.166139D+01  0.344189D+01
               121           122           123           124           125 
      1  -0.115579D+01 -0.476916D+01 -0.639952D+01 -0.373147D+01 -0.898751D+01
      2  -0.587241D+00 -0.972951D+00  0.130031D+00 -0.222890D+01 -0.638009D+00
      3   0.611550D+01  0.649234D+01  0.216120D+01  0.984633D+01  0.483046D+01
               126           127           128           129           130 
      1  -0.127419D+02  0.144997D+01 -0.202102D+01  0.147884D+00  0.362839D+00
      2  -0.927953D+00  0.727333D+00  0.738559D+00  0.104496D+01  0.169577D+00
      3   0.428074D+01 -0.103657D+01  0.649295D+00 -0.111593D+01  0.805116D+01
               131           132           133           134           135 
      1   0.663186D+01 -0.707422D+01 -0.237512D+01 -0.698967D+01  0.597059D+01
      2  -0.793830D+00 -0.140040D+00 -0.196004D+01  0.513386D-01  0.362340D-01
      3   0.535391D+01 -0.304953D+00 -0.445555D+01 -0.259344D+00  0.217982D+01
               136           137           138           139           140 
      1  -0.705265D+01 -0.446065D+01 -0.310212D+01 -0.724028D+01  0.804101D+01
      2  -0.179118D+02  0.302911D+01  0.501811D+01  0.386452D+01 -0.240655D+01
      3   0.154991D+00  0.153378D+01  0.271938D+01  0.874897D+01 -0.624885D+01
               141           142           143           144           145 
      1  -0.144534D+02 -0.273815D+01 -0.740005D+01 -0.367623D+01 -0.149344D+01
      2  -0.431218D+00  0.917842D+00 -0.758079D+00  0.479241D+01 -0.982517D+01
      3   0.794250D+01  0.254389D+01  0.577964D+01  0.351848D+01  0.711942D+01
               146           147           148           149           150 
      1  -0.411558D+00 -0.196941D+01  0.250058D+00 -0.210812D+01 -0.218089D+01
      2  -0.187595D+01 -0.998427D+01 -0.255887D+01 -0.998410D+01 -0.613373D+01
      3   0.130835D+02  0.314516D+01  0.251266D+02 -0.165492D+02  0.929557D+01
               151           152           153           154           155 
      1  -0.270085D+01  0.140291D+01  0.323308D+01  0.428945D+01 -0.310916D+01
      2  -0.184390D+02 -0.526564D+01  0.176212D+02  0.228719D+02 -0.307962D+01
      3   0.381686D+01  0.938154D+01  0.766388D+01  0.305930D+01 -0.106783D+01
               156           157           158           159           160 
      1  -0.109467D+00 -0.199330D+01  0.523938D+00 -0.609861D-02 -0.581994D+00
      2  -0.113464D+01 -0.422009D+01  0.121256D+01 -0.142675D+00 -0.457494D+01
      3  -0.329988D+00  0.183171D+01 -0.232889D-01 -0.387180D+00 -0.263348D+00
               161           162           163           164           165 
      1   0.148460D+01  0.682618D+00  0.372842D+01  0.492725D+01  0.293997D+01
      2   0.223949D+00  0.229825D+01 -0.131950D+01 -0.863517D+00  0.286305D+01
      3   0.380700D+00  0.184102D+00 -0.198956D+01 -0.393893D+01 -0.233193D+01
               166           167           168           169           170 
      1   0.375402D+01  0.540898D+01  0.482285D+01  0.307588D+01  0.624201D+01
      2  -0.311350D+01  0.919808D+00  0.304787D+01 -0.312627D+01  0.593457D+00
      3  -0.122481D+01 -0.344940D+01 -0.392275D+01 -0.136642D+01 -0.349928D+01
               171           172           173           174           175 
      1   0.569384D+01 -0.807038D+00  0.278346D+01  0.652504D+00  0.330419D+01
      2   0.328799D+01  0.661821D+00  0.355466D+00  0.111589D+01  0.319543D+01
      3  -0.343977D+01  0.800595D+00 -0.248720D+01  0.475375D+00  0.142133D+01
               176           177           178           179           180 
      1  -0.131047D+02  0.252463D+01 -0.448316D+00  0.478640D+01 -0.173902D+01
      2   0.287039D+01 -0.436974D+01 -0.158667D+01 -0.128698D+01  0.184917D+01
      3   0.968381D+01 -0.520856D+01 -0.619519D+00 -0.277545D+01  0.193254D+01
               181           182           183           184           185 
      1  -0.901558D+00 -0.540575D+00  0.834240D+00 -0.132819D+00 -0.406251D+00
      2  -0.444173D+01  0.174574D+00  0.637936D+01  0.189000D+00 -0.102569D+01
      3  -0.168290D+01 -0.245572D+01  0.785859D+00 -0.196238D+01 -0.765928D-01
               186           187           188           189           190 
      1  -0.317023D+00  0.128716D+01  0.329755D+01 -0.355393D+01  0.440970D+00
      2   0.321457D+01  0.551773D+01  0.213449D+01 -0.236661D+02  0.220573D+01
      3   0.164277D+01  0.938776D+00  0.445021D+01 -0.320544D+01  0.449796D+01
               191           192           193           194           195 
      1  -0.276887D+00  0.933293D+00 -0.217759D+00  0.121149D+01 -0.382825D+01
      2  -0.119539D+01  0.318842D+01 -0.160645D+01  0.500961D+01 -0.579872D+01
      3  -0.729628D+01  0.648510D+00 -0.971695D+01  0.252782D+02 -0.438126D+01
               196           197           198           199           200 
      1   0.599008D+00  0.294253D+00  0.701071D+00  0.125717D+01  0.854627D+00
      2   0.258261D+01 -0.261759D+01  0.137958D+01  0.750164D+01  0.313340D+01
      3   0.674328D+00 -0.518091D+01  0.218664D+01 -0.963676D+01 -0.891356D+01
               201           202           203           204           205 
      1   0.176578D+00  0.844801D+00  0.108830D+01 -0.796092D+00  0.114258D+01
      2   0.836918D+01  0.455170D+01  0.501000D+01  0.739195D+01  0.661590D+01
      3  -0.401734D+01 -0.957755D+01 -0.859631D+01 -0.545277D+01 -0.514065D+01
               206           207           208           209           210 
      1   0.173031D+01  0.117375D+00  0.230238D+01 -0.968643D+00  0.284662D+00
      2   0.400136D+01  0.726191D+01 -0.740732D+00  0.610332D+00  0.158848D+01
      3  -0.741744D+01 -0.500373D+01 -0.181328D+01 -0.385456D-01 -0.146767D+01
               211           212           213           214           215 
      1   0.769274D+00  0.102441D+02 -0.658906D+01 -0.111127D+01 -0.733246D+01
      2  -0.131490D+01 -0.265534D+01  0.167292D+01  0.644832D+00  0.305721D+01
      3   0.588968D+01 -0.110316D+02  0.126354D+01 -0.490227D+01  0.558734D+01
               216           217           218           219           220 
      1   0.505029D+01 -0.219615D+01 -0.170548D+01 -0.280257D+01 -0.355387D+00
      2  -0.196649D+01 -0.369256D+00  0.105053D+01  0.200783D+01 -0.554395D+00
      3  -0.228057D+01  0.280408D+01 -0.296793D+01 -0.146013D+00  0.216421D+01
               221           222           223           224           225 
      1   0.533257D+00 -0.312732D+01 -0.144507D+01 -0.277693D+01 -0.781912D+01
      2   0.159611D+01  0.184228D+01 -0.368257D+01  0.335748D+01  0.518589D+01
      3  -0.418299D+01 -0.107806D+01  0.371674D+01 -0.196899D+01 -0.210674D+01
               226           227           228           229           230 
      1  -0.130816D+01  0.123600D+01  0.342299D+01  0.979553D+00 -0.136054D+01
      2  -0.708208D+00  0.240577D+01  0.475306D+01  0.106922D+00 -0.278257D+01
      3  -0.317348D+01 -0.174462D+01 -0.236333D+00  0.306178D+01  0.530234D+01
               231           232           233           234 
      1  -0.278237D+01  0.309435D+01  0.249259D+01 -0.213809D+01
      2  -0.346097D+01  0.176514D+01  0.146815D+01 -0.190196D+01
      3   0.106148D+01  0.115413D+01  0.237097D+01 -0.181060D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116523D+02 -0.489147D+01 -0.877472D+01 -0.525277D+01 -0.252863D+01
      2   0.852241D+01  0.199400D+01  0.548490D+00  0.117275D+01  0.774247D+01
      3   0.312993D+01  0.289747D+01  0.822623D+01  0.408002D+01 -0.521384D+01
      4   0.203358D+01 -0.562280D+00 -0.243624D+01 -0.194921D+01 -0.255497D+01
      5   0.439745D+00 -0.450379D+01 -0.935513D+01  0.114114D+01  0.385177D+00
      6  -0.231470D+01  0.245310D+00  0.435988D+01  0.283030D+01  0.315352D+01
                 6             7             8             9            10 
      1   0.587382D+01 -0.188486D+02 -0.999586D+00 -0.213894D+01 -0.670521D+01
      2  -0.193844D+01  0.583851D+01  0.254528D+01  0.546379D+01  0.656559D+01
      3  -0.393538D+01  0.130101D+02 -0.154569D+01 -0.332485D+01  0.139619D+00
      4   0.283230D+00 -0.585059D+01  0.669935D+01  0.818198D+01 -0.118308D+01
      5   0.506462D+01 -0.767133D+01  0.694800D+01  0.887046D+01  0.429729D+01
      6  -0.427000D+01  0.790351D+01 -0.373495D+01 -0.657031D+01  0.508761D+01
                11            12            13            14            15 
      1   0.665188D+01 -0.368991D+01  0.732197D+01 -0.102960D+02  0.113262D+00
      2  -0.145800D+00  0.260840D+01 -0.238648D+01  0.118095D+02  0.227884D+01
      3  -0.650608D+01  0.108151D+01 -0.493549D+01 -0.151356D+01 -0.239210D+01
      4  -0.532179D+01  0.959788D+01 -0.101316D+02  0.646573D+01  0.652574D+01
      5   0.774466D+01 -0.852510D+01  0.240473D+01  0.357472D+01 -0.315356D+01
      6   0.167643D+01 -0.587239D+01  0.611719D+01  0.255122D+01 -0.960191D+00
                16            17            18            19            20 
      1  -0.552056D+01  0.116445D+02 -0.632105D+01  0.819825D+00  0.831774D+01
      2   0.320117D+01 -0.612781D+01  0.697284D+01  0.147035D+01 -0.232046D+01
      3   0.231939D+01 -0.551666D+01 -0.651790D+00 -0.229017D+01 -0.599728D+01
      4   0.165581D+02  0.543823D+01 -0.285719D+01  0.309207D+01  0.128238D+01
      5  -0.843295D+01 -0.379502D+01  0.475395D+01 -0.367510D+01 -0.293317D+01
      6  -0.638317D+01 -0.456832D+00  0.365459D+01 -0.764981D+00 -0.500607D+01
                21            22            23            24            25 
      1   0.545498D+01  0.129673D+02  0.207516D+02 -0.423518D+01  0.652118D+01
      2  -0.110666D+01 -0.756607D+01 -0.250418D+02  0.106857D+02  0.212616D+00
      3  -0.434833D+01 -0.540119D+01  0.429020D+01 -0.645051D+01 -0.673380D+01
      4  -0.506638D+01 -0.690802D+00 -0.182299D+02 -0.551195D+01 -0.558350D+01
      5  -0.700539D+01 -0.456851D+01 -0.529107D+01 -0.965811D+01 -0.945686D+01
      6  -0.690314D+01 -0.363658D+01  0.209439D+01 -0.963905D+01 -0.995021D+01
                26            27            28            29            30 
      1  -0.384375D+01  0.853431D+01  0.207268D+02  0.136496D+02  0.115899D+01
      2   0.206543D+02 -0.148680D+01 -0.150885D+02 -0.753903D+01 -0.223028D+01
      3  -0.168106D+02 -0.704751D+01 -0.563824D+01 -0.611061D+01  0.107129D+01
      4  -0.723500D+01 -0.159838D+02  0.473609D+01  0.203134D+02  0.602525D+01
      5  -0.149007D+02 -0.141815D+02  0.411985D+01  0.435133D+01  0.558812D+01
      6  -0.211347D+02 -0.155745D+02  0.112226D+01 -0.335877D+00 -0.220181D+01
                31            32            33            34            35 
      1   0.139520D+02  0.291322D+02  0.850568D+01  0.821493D+01  0.785757D+01
      2  -0.978291D+01 -0.207073D+02 -0.269086D+01 -0.735930D+01 -0.643101D+01
      3  -0.416910D+01 -0.842490D+01 -0.581482D+01 -0.855634D+00 -0.142656D+01
      4   0.231401D+02  0.526217D+02  0.103834D+01  0.592059D+01  0.435966D+01
      5   0.620863D+01 -0.548221D+00  0.120645D+02  0.168130D+02  0.100858D+02
      6  -0.179393D+01  0.424975D+01  0.182621D+01 -0.189816D+00  0.988682D+01
                36            37            38            39            40 
      1   0.710974D+01 -0.199915D+02  0.182690D+01 -0.271005D+01  0.107554D+02
      2  -0.127744D+02  0.151997D+02 -0.226164D+01 -0.201546D+00 -0.749686D+01
      3   0.566470D+01  0.479181D+01  0.434747D+00  0.291160D+01 -0.325850D+01
      4   0.724420D+01  0.402540D+01 -0.225398D+02 -0.190623D+02 -0.349297D+02
      5   0.906860D+01 -0.570028D+01 -0.202533D+02 -0.152669D+02 -0.182290D+02
      6  -0.146019D+01 -0.785881D+01 -0.464953D+01 -0.401121D+01  0.239594D+01
                41            42            43            44            45 
      1  -0.238632D+02 -0.232697D+02 -0.957535D+01 -0.281685D+02 -0.179572D+02
      2   0.116836D+02  0.156346D+02  0.459095D+01  0.202170D+02  0.723828D+01
      3   0.121796D+02  0.763511D+01  0.498440D+01  0.795150D+01  0.107189D+02
      4  -0.253382D+02  0.154322D+02 -0.212303D+02  0.145470D+02 -0.258153D+02
      5   0.194014D+02 -0.181876D+02 -0.326886D+02 -0.301695D+02 -0.107557D+02
      6   0.110635D+02 -0.130360D+02 -0.113145D+02 -0.193796D+02 -0.115999D+01
                46            47            48            49            50 
      1  -0.214249D+02 -0.122949D+02 -0.133643D+01 -0.258481D+02 -0.407564D+02
      2   0.130707D+02  0.133599D+02  0.213607D+01  0.237693D+02  0.375120D+02
      3   0.835416D+01 -0.106503D+01 -0.799642D+00  0.207872D+01  0.324439D+01
      4   0.715763D+01 -0.167992D+02 -0.125001D+02 -0.233243D+02 -0.350373D+02
      5   0.995067D+01 -0.986013D+01 -0.390183D+01 -0.944131D+01  0.728730D+01
      6  -0.702896D+01  0.790731D+01  0.275710D+01  0.813708D+01 -0.112247D+02
                51            52            53            54            55 
      1  -0.426917D+01 -0.284199D+01 -0.831429D+01 -0.152199D+02  0.665764D+01
      2   0.568199D+00  0.326203D+01 -0.404991D+01  0.253280D+01 -0.561248D+01
      3   0.370097D+01 -0.420042D+00  0.123642D+02  0.126871D+02 -0.104515D+01
      4   0.947194D+01 -0.186666D+02  0.138385D+02 -0.893349D+01  0.862821D+00
      5  -0.948777D+01 -0.623892D+00 -0.889466D+01 -0.136126D+01 -0.385835D+01
      6   0.336269D+01  0.497296D+01  0.160182D+02  0.970129D+00 -0.189860D+01
                56            57            58            59            60 
      1   0.995843D+01  0.728668D+01  0.110827D+02  0.410692D+02 -0.402675D+01
      2  -0.110455D+02 -0.980619D+01 -0.113808D+02 -0.440404D+02  0.895859D+01
      3   0.108711D+01  0.251951D+01  0.298100D+00  0.297120D+01 -0.493183D+01
      4   0.223429D+01  0.282170D+00  0.729401D+01  0.342199D+01 -0.104761D+02
      5  -0.323898D+00 -0.303200D+01  0.136648D+00 -0.659015D+01  0.489891D+00
      6  -0.102647D+02 -0.286442D+01 -0.573796D+01  0.118098D+02 -0.168684D+02
                61            62            63            64            65 
      1   0.826892D+01 -0.696722D+01  0.230013D+02  0.152659D+01  0.334906D+01
      2  -0.778222D+01  0.142124D+02 -0.258775D+02 -0.592038D+01 -0.375620D+01
      3  -0.486696D+00 -0.724520D+01  0.287615D+01  0.439379D+01  0.407144D+00
      4  -0.159217D+01 -0.135472D+02 -0.318506D+01  0.270682D+01  0.462122D+01
      5  -0.128125D+01 -0.365490D+01 -0.404572D+01  0.119015D+02 -0.656174D+00
      6  -0.948952D+01 -0.369384D+02 -0.747826D+01 -0.162475D+01  0.455724D+01
                66            67            68            69            70 
      1   0.111043D+02  0.569964D+01  0.135618D+02  0.888139D+00  0.199030D+02
      2  -0.809764D+01 -0.417362D+01 -0.835371D+01 -0.206701D+01 -0.132283D+02
      3  -0.300667D+01 -0.152602D+01 -0.520805D+01  0.117887D+01 -0.667469D+01
      4  -0.303869D+01  0.181461D+02 -0.143203D+02  0.709494D+01 -0.450377D+01
      5   0.133217D+02 -0.230859D+00  0.792362D+01  0.195044D+01  0.193977D+02
      6  -0.258681D+00  0.564925D+00 -0.541431D+01  0.336315D+01 -0.263487D+01
                71            72            73            74            75 
      1  -0.145413D+01  0.129157D+02  0.222369D+01  0.588136D+00  0.330527D+01
      2  -0.911297D+00 -0.112470D+02 -0.462366D+01  0.887865D+00  0.373383D+01
      3   0.236543D+01 -0.166877D+01  0.239997D+01 -0.147600D+01 -0.703910D+01
      4   0.593123D+01 -0.987079D+00 -0.676888D+01  0.690809D+01  0.512869D+01
      5   0.649901D+00 -0.172745D+01 -0.836316D+01  0.523054D+01  0.129017D+02
      6   0.475668D+01  0.830091D+00  0.504356D+01 -0.424819D+01 -0.598861D+01
                76            77            78            79            80 
      1   0.507463D+00 -0.891797D+01 -0.876922D+01  0.250563D+01 -0.794385D+01
      2   0.100014D+01  0.373523D+01  0.342470D+00  0.392943D+01 -0.117247D+01
      3  -0.150760D+01  0.518274D+01  0.842675D+01 -0.643506D+01  0.911632D+01
      4   0.442678D+01 -0.483296D+01 -0.558555D+01  0.514774D+01 -0.631330D+01
      5   0.447294D+01 -0.570290D+01 -0.705074D+01  0.985683D+01 -0.754379D+01
      6  -0.318640D+01  0.949113D+01  0.124771D+02 -0.512210D+01  0.128068D+02
                81            82            83            84            85 
      1  -0.183901D+02  0.939166D+01  0.222271D+00  0.411999D-01 -0.903594D+00
      2  -0.952727D+01 -0.665654D+01  0.866002D+00  0.240853D+01  0.101808D+01
      3   0.279174D+02 -0.273513D+01 -0.108827D+01 -0.244973D+01 -0.114491D+00
      4  -0.880593D+01  0.140157D+02  0.132639D+02 -0.970005D+01  0.100833D+02
      5  -0.164992D+02 -0.125120D+02 -0.842737D+01  0.133768D+02 -0.674732D+01
      6   0.179223D+02 -0.825125D+01 -0.774062D+01  0.815218D+01 -0.659509D+01
                86            87            88            89            90 
      1  -0.658006D+01  0.341314D+01 -0.124646D+01  0.285530D+01 -0.561463D+01
      2   0.800155D+01 -0.176124D+01  0.327142D+01 -0.669537D+00 -0.386833D+01
      3  -0.142149D+01 -0.165190D+01 -0.202496D+01 -0.218576D+01  0.948296D+01
      4   0.135478D+02 -0.896763D+01 -0.942796D+01 -0.101212D+02  0.107032D+02
      5  -0.819247D+01  0.677744D+01  0.114981D+02  0.904436D+01 -0.132495D+02
      6  -0.119703D+02  0.110831D+02  0.868800D+01  0.124170D+02 -0.136300D+02
                91            92            93            94            95 
      1   0.340746D+02  0.118008D+02  0.146207D+02  0.147488D+02  0.115025D+02
      2  -0.185119D+02 -0.444422D+01 -0.740653D+01 -0.546296D+01 -0.254403D+01
      3  -0.155627D+02 -0.735659D+01 -0.721420D+01 -0.928585D+01 -0.895848D+01
      4   0.159483D+02  0.136708D+02  0.101118D+02  0.215271D+02  0.208396D+02
      5   0.186354D+02  0.100426D+02  0.175518D+02  0.100216D+02  0.836646D+01
      6   0.592372D+01  0.322850D+01  0.437984D+01  0.407418D+01  0.390048D+01
                96            97            98            99           100 
      1   0.660804D+01  0.348014D+02  0.145792D+02  0.150549D+02  0.492953D+02
      2  -0.203497D+01 -0.197057D+02 -0.674832D+01 -0.118420D+02 -0.284808D+02
      3  -0.457307D+01 -0.150957D+02 -0.783091D+01 -0.321290D+01 -0.208145D+02
      4   0.863319D+01  0.220402D+02  0.178020D+02  0.183243D+02 -0.141273D+02
      5   0.132628D+02  0.298860D+02  0.208427D+02  0.339424D+02 -0.153902D+02
      6   0.781774D+01  0.950576D+01  0.110399D+02  0.107261D+02  0.121808D+01
               101           102           103           104           105 
      1  -0.152137D+02 -0.114507D+02 -0.362287D+02  0.124704D+02  0.903465D+01
      2   0.970485D+01  0.850414D+01  0.208183D+02 -0.631175D+01 -0.723131D+01
      3   0.550880D+01  0.294651D+01  0.154103D+02 -0.615860D+01 -0.180335D+01
      4   0.128991D+02  0.514164D+01  0.176882D+02 -0.169805D+02 -0.700282D+01
      5   0.617865D+01  0.140844D+02  0.128764D+02 -0.743079D+01 -0.101515D+02
      6  -0.451144D+00  0.348337D+00 -0.169064D+01  0.189338D+01  0.288854D+01
               106           107           108           109           110 
      1  -0.182650D+02  0.635244D+01  0.101386D+02  0.422670D+01  0.657622D+01
      2   0.127874D+02 -0.562153D+01 -0.902593D+01 -0.234301D+01 -0.401521D+01
      3   0.547757D+01 -0.730910D+00 -0.111269D+01 -0.188369D+01 -0.256101D+01
      4   0.617445D+01 -0.716519D+01 -0.342043D+01  0.432669D+01  0.451054D+01
      5   0.175142D+02 -0.388093D+01 -0.116086D+02 -0.242175D+01  0.496911D-01
      6  -0.638371D+00  0.394552D+01  0.109328D+01 -0.169776D+01  0.144478D+01
               111           112           113           114           115 
      1  -0.378313D+01  0.138845D+02 -0.156632D+01  0.544188D+01 -0.844121D+01
      2   0.173452D+01 -0.491234D+01  0.117507D+02 -0.498462D+01  0.464671D+01
      3   0.204862D+01 -0.897216D+01 -0.101844D+02 -0.457257D+00  0.379450D+01
      4  -0.317530D+00  0.217327D+02  0.394340D+02 -0.180174D+02 -0.860966D+01
      5   0.450367D+01 -0.762654D+01 -0.203572D+02  0.182439D+02  0.161704D+02
      6   0.336775D+00 -0.655932D+01 -0.178623D+02  0.136035D+02  0.734963D+01
               116           117           118           119           120 
      1   0.685096D+01 -0.107519D+01 -0.253807D+01 -0.638930D+01 -0.445291D+01
      2  -0.656734D+01 -0.214266D+01  0.265038D+01  0.840692D+01  0.442794D+01
      3  -0.283623D+00  0.321785D+01 -0.112302D+00 -0.201762D+01  0.249702D-01
      4  -0.225158D+02  0.185550D+02  0.595071D+01  0.851330D+01  0.497921D+01
      5   0.217448D+02 -0.190191D+02  0.243734D+01  0.342033D+01  0.514377D+01
      6   0.166659D+02 -0.130031D+02  0.680147D+01  0.728935D+01  0.585973D+01
               121           122           123           124           125 
      1  -0.548810D+01 -0.239763D+02 -0.864413D+01 -0.718523D+01 -0.198364D+02
      2   0.708406D+01  0.292090D+02  0.945341D+01  0.594517D+01  0.201309D+02
      3  -0.159595D+01 -0.523275D+01 -0.809275D+00  0.124006D+01 -0.294455D+00
      4   0.391652D+01  0.368747D+01  0.353436D+01  0.611344D+01  0.589941D+01
      5   0.177190D+01  0.270723D+01  0.135422D+01  0.529095D+01  0.397088D+01
      6   0.424490D+01  0.140994D+02  0.145663D+02  0.770742D+01  0.274929D+02
               126           127           128           129           130 
      1  -0.193491D+02 -0.105863D+01  0.303762D+01 -0.199782D+01 -0.369377D+01
      2   0.138724D+02  0.420950D+01 -0.600903D+01  0.234615D+01  0.172579D+01
      3   0.547670D+01 -0.315086D+01  0.297140D+01 -0.348329D+00  0.196798D+01
      4   0.436049D+01 -0.366863D+01  0.108369D+02 -0.355205D+01  0.574112D+01
      5   0.311276D+01  0.232296D+01 -0.224666D+01  0.388125D+01 -0.184615D+01
      6   0.234839D+02 -0.403930D+01  0.476757D+01 -0.639941D+00  0.465208D+00
               131           132           133           134           135 
      1  -0.426935D+02  0.133999D+02  0.335139D+00  0.232556D+02 -0.168005D+02
      2   0.595535D+02 -0.173910D+02  0.909874D+00 -0.285087D+02  0.152926D+02
      3  -0.168600D+02  0.399114D+01 -0.124501D+01  0.525306D+01  0.150786D+01
      4  -0.952390D+01  0.412288D+01 -0.384713D+01  0.546722D+01 -0.300009D+01
      5   0.304505D+01 -0.136444D+01  0.318165D+01 -0.162528D+01  0.229993D+01
      6  -0.268307D+02  0.165436D+02  0.213107D+01  0.272788D+02 -0.159989D+02
               136           137           138           139           140 
      1   0.153156D+02 -0.458698D+01 -0.186385D+00 -0.722880D+01  0.650447D+01
      2  -0.954221D+00  0.682321D+01  0.761646D+01  0.110430D+02 -0.217729D+01
      3  -0.143614D+02 -0.223623D+01 -0.743008D+01 -0.381420D+01 -0.432718D+01
      4  -0.854543D+01 -0.300546D+01 -0.215146D+01 -0.940034D+01  0.149417D+02
      5   0.104285D+01 -0.672270D+01 -0.139885D+02 -0.834483D+01 -0.196825D+02
      6  -0.523002D+01 -0.885974D+01 -0.335585D+01 -0.133184D+02  0.196093D+02
               141           142           143           144           145 
      1  -0.448623D+01 -0.138723D+01 -0.224487D+01 -0.949955D+01  0.322241D+01
      2   0.145197D+02  0.817597D+01  0.109916D+02  0.322955D+01 -0.106877D+01
      3  -0.100335D+02 -0.678874D+01 -0.874676D+01  0.627000D+01 -0.215365D+01
      4  -0.158993D+02 -0.602326D+00 -0.104306D+02 -0.357465D+01 -0.155155D+02
      5  -0.871460D+01 -0.198852D+02 -0.603675D+01 -0.111783D+02 -0.194939D+02
      6  -0.184298D+02 -0.237065D+01 -0.154206D+02 -0.805004D+01  0.655314D+00
               146           147           148           149           150 
      1  -0.166943D+02 -0.168543D+02 -0.220531D+02 -0.212778D+02 -0.810670D+01
      2   0.136361D+02  0.693648D+01  0.204095D+02  0.192756D+00  0.678196D+01
      3   0.305816D+01  0.991783D+01  0.164358D+01  0.210850D+02  0.132473D+01
      4  -0.230917D+02 -0.346794D+01 -0.386017D+02  0.347005D+02 -0.168184D+02
      5  -0.376362D+01 -0.185799D+02 -0.587377D+01 -0.153430D+02 -0.116389D+02
      6  -0.168858D+01  0.838468D+00 -0.257172D+01  0.245472D+01 -0.982733D+00
               151           152           153           154           155 
      1  -0.219520D+02 -0.772062D+01 -0.190990D+02 -0.836097D+01 -0.782201D-01
      2   0.635110D+01  0.642390D+01  0.163219D+02  0.227172D+01 -0.376937D+00
      3   0.156009D+02  0.129672D+01  0.277716D+01  0.608925D+01  0.455157D+00
      4  -0.514206D+01 -0.178866D+02 -0.963092D+01  0.557590D+01 -0.110020D+00
      5  -0.250272D+02 -0.101496D+02  0.307032D+02 -0.145997D+02  0.178069D+01
      6   0.649788D+00  0.140383D+01 -0.369590D+01  0.183068D+01 -0.361425D+01
               156           157           158           159           160 
      1   0.943760D+01  0.161721D+01 -0.223027D+01 -0.128442D+01  0.466302D+01
      2   0.324324D+01 -0.204110D+01  0.124882D+01 -0.229742D+01  0.193187D+01
      3  -0.126808D+02  0.423887D+00  0.981450D+00  0.358184D+01 -0.659488D+01
      4  -0.979255D+00  0.166431D+01 -0.719271D+00  0.140709D+01 -0.101281D+01
      5   0.310428D+01  0.277767D+01  0.893095D+00  0.162484D+01  0.694683D+01
      6   0.193144D+01 -0.947289D+00 -0.892961D+00  0.365491D+01  0.424557D+00
               161           162           163           164           165 
      1  -0.856356D+00 -0.367606D+01  0.743503D+01  0.266922D+01  0.691056D+00
      2  -0.996957D+00 -0.261308D+01 -0.112055D+02 -0.441232D+01 -0.120121D+02
      3   0.185331D+01  0.628914D+01  0.377048D+01  0.174309D+01  0.113210D+02
      4  -0.496758D+00  0.116178D+01  0.582404D+01  0.657084D+01  0.426299D+01
      5   0.351612D+00 -0.360410D+01  0.177934D+02  0.731856D+01  0.211628D+02
      6   0.315859D+01  0.104464D+01  0.548304D+01  0.695143D+01  0.507337D+01
               166           167           168           169           170 
      1   0.444540D+01 -0.242451D+01 -0.427338D+01  0.978480D+00 -0.215568D+01
      2  -0.708335D+01 -0.192339D+01 -0.103332D+02 -0.971738D+01 -0.578416D+01
      3   0.263795D+01  0.434791D+01  0.146066D+02  0.873891D+01  0.793984D+01
      4   0.725649D+01  0.654135D+01  0.857203D+01  0.280007D+01  0.560613D+01
      5   0.124971D+02  0.110089D+02  0.163027D+02  0.167373D+02  0.794851D+01
      6   0.760292D+01  0.821806D+01  0.131006D+02  0.435666D+01  0.961700D+01
               171           172           173           174           175 
      1  -0.784576D+01  0.238433D+00 -0.988484D+00 -0.192297D+00 -0.112211D+01
      2  -0.171357D+02 -0.200764D+00 -0.113904D+01 -0.212770D+01 -0.165604D+01
      3   0.249815D+02 -0.376688D-01  0.212752D+01  0.232000D+01  0.277815D+01
      4   0.590082D+01 -0.508632D+01  0.861652D+01 -0.370909D+01  0.112601D+02
      5   0.237210D+02  0.511757D+01 -0.485727D+01  0.798143D+01 -0.747654D+01
      6   0.989725D+01 -0.420553D+01  0.590045D+01 -0.287737D+01  0.831390D+01
               176           177           178           179           180 
      1  -0.156845D+02  0.122699D+02 -0.488431D+00  0.672133D+01 -0.702135D+01
      2   0.173259D+02 -0.381759D+01 -0.184678D+01 -0.138207D+01 -0.125152D+01
      3  -0.164147D+01 -0.845235D+01  0.233521D+01 -0.533926D+01  0.827287D+01
      4  -0.214428D+02  0.112908D+02 -0.186217D+01  0.551116D+01 -0.474081D+01
      5   0.128916D+02 -0.102546D+02  0.619643D+01 -0.459869D+01  0.744728D+01
      6  -0.302991D+02  0.221532D+02 -0.263633D+01  0.138917D+02 -0.105232D+02
               181           182           183           184           185 
      1   0.107417D+02  0.254062D+01 -0.887851D+01  0.601155D+01  0.280251D+01
      2  -0.810966D+01 -0.178048D+01  0.647200D+01 -0.426559D+01 -0.737711D+00
      3  -0.263203D+01 -0.760136D+00  0.240651D+01 -0.174596D+01 -0.206480D+01
      4   0.160094D+01  0.453624D+01  0.379941D+00  0.738847D+01 -0.113993D+01
      5  -0.107657D+02 -0.417512D+00  0.153367D+02 -0.193239D+01 -0.322789D+01
      6   0.583541D+00 -0.399498D+00 -0.113522D+01 -0.112357D+01 -0.735760D+00
               186           187           188           189           190 
      1  -0.146993D+00 -0.202872D+02  0.624884D+00  0.892010D+01  0.160598D+02
      2   0.114334D+01  0.149346D+02  0.875668D+00 -0.181439D+02 -0.410321D+01
      3  -0.996349D+00  0.535265D+01 -0.150055D+01  0.922378D+01 -0.119566D+02
      4  -0.347180D+01  0.193031D+01 -0.735182D+01  0.261780D+01 -0.141980D+02
      5   0.593713D+01  0.259837D+02  0.322241D+01 -0.464975D+02  0.376982D+01
      6   0.374298D+01 -0.198077D+01  0.403760D+01  0.431361D+01 -0.926249D+00
               191           192           193           194           195 
      1  -0.940717D+01  0.364231D+01 -0.214334D+02  0.840381D+01  0.367689D+00
      2   0.102846D+01 -0.132250D+01  0.103150D+01  0.160567D+02 -0.237503D+01
      3   0.837870D+01 -0.231981D+01  0.204019D+02 -0.244606D+02  0.200734D+01
      4   0.190002D+02 -0.236181D+01  0.368167D+02 -0.537119D+02  0.864044D+01
      5  -0.173851D+01  0.540448D+01 -0.223241D+01  0.735876D+01 -0.969786D+01
      6   0.523740D+00 -0.642451D+00  0.131337D+01 -0.217769D+01  0.651220D+01
               196           197           198           199           200 
      1   0.867767D+01 -0.646386D+00  0.338627D+01  0.485897D+02  0.153028D+02
      2  -0.272871D+01 -0.197302D+01 -0.127124D+01 -0.251840D+02 -0.835617D+01
      3  -0.594896D+01  0.261940D+01 -0.211503D+01 -0.234057D+02 -0.694661D+01
      4  -0.575297D+01  0.106508D+02 -0.608991D+01  0.154279D+02  0.153384D+02
      5   0.940320D+01 -0.609575D+01  0.254084D+01  0.167240D+02  0.645514D+01
      6  -0.292962D+01  0.552552D+01 -0.261757D+01  0.986781D+00  0.479472D+00
               201           202           203           204           205 
      1   0.151340D+02  0.331232D+02  0.142578D+02  0.805385D+01  0.294249D+02
      2  -0.855946D+01 -0.170208D+02 -0.376355D+01 -0.507143D+01 -0.163219D+02
      3  -0.657455D+01 -0.161024D+02 -0.104943D+02 -0.298242D+01 -0.131031D+02
      4   0.632758D+01  0.227017D+02  0.149738D+02  0.101442D+02  0.862638D+01
      5   0.148352D+02  0.107070D+02  0.924481D+01  0.129442D+02  0.204431D+02
      6  -0.185222D+00  0.191356D+01  0.179846D+01  0.261343D+01  0.123011D+01
               206           207           208           209           210 
      1   0.691475D+01  0.130366D+02 -0.115364D+01  0.147610D+01 -0.177362D+01
      2  -0.466754D+01 -0.107712D+02  0.291501D+01 -0.178407D+01  0.661971D+00
      3  -0.224721D+01 -0.226545D+01 -0.176138D+01  0.307974D+00  0.111165D+01
      4   0.122891D+02  0.791841D+01  0.777427D+00  0.729507D+01 -0.558231D+00
      5   0.813669D+01  0.148661D+02 -0.137696D+01  0.359698D+00  0.308046D+01
      6   0.224594D+01  0.215846D+01 -0.189399D+01  0.557300D+00  0.732595D+00
               211           212           213           214           215 
      1  -0.334397D+00 -0.247218D+02  0.389627D+01 -0.226395D+01  0.116313D+02
      2   0.235021D+01  0.403987D+02 -0.819411D+01 -0.966784D+00 -0.202001D+02
      3  -0.201581D+01 -0.156769D+02  0.429784D+01  0.323073D+01  0.856883D+01
      4   0.679680D+01  0.141598D+02 -0.196737D+01 -0.310687D+01 -0.673620D+01
      5   0.125191D+00 -0.156628D+01  0.272845D+01  0.320585D+01  0.413367D+01
      6  -0.460987D+00 -0.742186D+01  0.776290D+01  0.225331D+01  0.124336D+02
               216           217           218           219           220 
      1  -0.585416D+01  0.323323D+01 -0.285990D+01 -0.175860D+01 -0.245483D+01
      2   0.559870D+01 -0.427764D+01  0.189371D+00 -0.254614D+01  0.168757D+01
      3   0.255463D+00  0.104441D+01  0.267053D+01  0.430475D+01  0.767262D+00
      4   0.487523D+01  0.731344D+01  0.101770D+02  0.890642D+01  0.604162D+01
      5  -0.854360D+00  0.104945D+02  0.811518D+01  0.121259D+02  0.380490D+01
      6  -0.434450D+01  0.693753D+01  0.855300D+01  0.797533D+01  0.523460D+01
               221           222           223           224           225 
      1  -0.107335D+02 -0.641592D+01 -0.155966D+01 -0.106492D+02 -0.171077D+02
      2   0.884401D+01  0.227395D+01 -0.230061D+01 -0.282141D+00 -0.543263D+01
      3   0.188952D+01  0.414197D+01  0.386027D+01  0.109314D+02  0.225403D+02
      4   0.101936D+02  0.739971D+01  0.947100D+01  0.108794D+02  0.139501D+02
      5   0.757339D+01  0.684455D+01  0.120175D+02  0.129693D+02  0.204741D+02
      6   0.115357D+02  0.135598D+02  0.905515D+01  0.208210D+02  0.247728D+02
               226           227           228           229           230 
      1   0.184528D+02 -0.885439D+01 -0.353568D+01 -0.693000D+01 -0.397439D+01
      2  -0.420741D+01 -0.364906D+00  0.178744D+01 -0.217260D+01  0.140738D+02
      3  -0.142454D+02  0.921930D+01  0.174824D+01  0.910259D+01 -0.100994D+02
      4  -0.280008D+02  0.234951D+02  0.101944D+02  0.199153D+02 -0.274156D+02
      5  -0.105134D+02  0.809377D+01  0.964918D+01  0.560380D+01 -0.772909D+01
      6   0.606131D+01 -0.682371D+01 -0.580874D+01 -0.520959D+01  0.934372D+01
               231           232           233           234 
      1  -0.156299D+01 -0.468242D+01  0.888523D+00  0.195344D+01
      2   0.279657D+01  0.171778D+01  0.441823D+01 -0.103100D+01
      3  -0.123358D+01  0.296464D+01 -0.530675D+01 -0.922447D+00
      4  -0.949609D+01  0.120086D+02 -0.151196D+02 -0.676878D+01
      5  -0.622993D+01  0.903448D+01 -0.442154D+01 -0.684169D+01
      6   0.693321D+01 -0.630651D+01  0.427480D+01  0.567625D+01
 Leave Link  716 at Fri Jul 16 21:21:17 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134510D+03  0.428152D+01  0.376575D+00
      2   0.428152D+01  0.122653D+03  0.243681D+01
      3   0.376575D+00  0.243681D+01  0.103379D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.104181D+01  0.740941D+00  0.347413D+01
      2   0.874672D+01 -0.808473D+01  0.106271D+02
      3   0.183634D+02  0.284067D+02  0.663655D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.201739D+02 -0.504357D+02  0.733536D+01
      2   0.727674D+00  0.486690D+02 -0.135266D+02
      3   0.194462D+02  0.176672D+01  0.619128D+01
      4  -0.455611D+02 -0.484251D+02 -0.218028D+02
      5   0.228286D+02 -0.197842D+02  0.343421D+02
      6  -0.102653D+02  0.529704D+01 -0.206513D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295388D+01 -0.600982D+00 -0.174677D+01  0.151035D+00 -0.199533D+01
      2  -0.600982D+00 -0.454361D+00 -0.117367D+01 -0.199533D+01 -0.425343D+01
      3  -0.174677D+01 -0.117367D+01 -0.423468D+01 -0.158849D-01  0.280867D-01
                 6             7             8             9            10 
      1  -0.158849D-01 -0.356423D+01 -0.235201D+01 -0.401715D+01 -0.239084D+01
      2   0.280867D-01 -0.235201D+01  0.187492D+01  0.103552D+01  0.122709D+01
      3   0.141691D+01 -0.401715D+01  0.103552D+01  0.216240D+00 -0.316292D-01
                11            12            13            14            15 
      1   0.122709D+01 -0.316292D-01  0.436090D+00 -0.193782D+01  0.120529D+01
      2  -0.124425D+01  0.294021D+01 -0.193782D+01  0.508042D+01  0.610502D+00
      3   0.294021D+01 -0.276160D+01  0.120529D+01  0.610502D+00  0.660300D+00
                16            17            18            19            20 
      1  -0.269881D+00  0.453748D+01 -0.220290D+01  0.151295D+00 -0.962405D+00
      2   0.453748D+01  0.700517D+00  0.105903D+01 -0.962405D+00 -0.104679D+01
      3  -0.220290D+01  0.105903D+01  0.684558D-01  0.542478D+00  0.116281D+01
                21            22            23            24            25 
      1   0.542478D+00 -0.840523D+00  0.301859D+00  0.989060D+00  0.976417D+00
      2   0.116281D+01  0.301859D+00  0.976395D+01 -0.245673D+00  0.934422D+00
      3   0.165184D+01  0.989060D+00 -0.245673D+00  0.254038D+01  0.303723D+01
                26            27            28            29            30 
      1   0.934422D+00  0.303723D+01 -0.543701D+01 -0.303073D+01 -0.375855D+00
      2  -0.746367D+00  0.478796D+01 -0.303073D+01 -0.342699D+01 -0.845403D+00
      3   0.478796D+01  0.350768D+01 -0.375855D+00 -0.845403D+00 -0.112916D+01
                31            32            33            34            35 
      1  -0.413053D+01 -0.594195D+01 -0.192875D+01 -0.103952D+01 -0.148030D+01
      2  -0.594195D+01 -0.176840D+02 -0.793218D+00 -0.148030D+01 -0.172526D+01
      3  -0.192875D+01 -0.793218D+00 -0.361821D+01 -0.262272D+01 -0.301425D+01
                36            37            38            39            40 
      1  -0.262272D+01  0.351435D+01  0.939236D+00  0.798172D+00 -0.101637D+00
      2  -0.301425D+01  0.939236D+00  0.440448D+01  0.262606D+01  0.604613D+01
      3  -0.157280D+01  0.798172D+00  0.262606D+01  0.197456D+01  0.211375D+01
                41            42            43            44            45 
      1   0.604613D+01  0.211375D+01  0.125063D+01  0.239473D+01  0.404686D+01
      2   0.502415D+01 -0.292035D+01  0.239473D+01 -0.325293D+01  0.411170D+01
      3  -0.292035D+01  0.251545D+01  0.404686D+01  0.411170D+01  0.125792D+01
                46            47            48            49            50 
      1   0.558311D+01  0.208812D+01 -0.438389D+00  0.379682D+01  0.694142D+01
      2   0.208812D+01  0.680418D+01  0.262688D+01  0.694142D+01  0.144365D+02
      3  -0.438389D+00  0.262688D+01  0.153398D+01  0.247274D+01 -0.689806D+00
                51            52            53            54            55 
      1   0.247274D+01  0.121526D+00  0.314999D+01  0.176056D+01 -0.154290D+01
      2  -0.689806D+00  0.314999D+01 -0.115764D+01  0.342810D+01 -0.167224D+01
      3   0.270914D+01  0.176056D+01  0.342810D+01  0.188044D+01 -0.571479D+00
                56            57            58            59            60 
      1  -0.167224D+01 -0.571479D+00 -0.181006D+01 -0.360507D+01 -0.158392D+01
      2  -0.355627D+01 -0.226381D+01 -0.360507D+01 -0.878196D+01  0.108182D+01
      3  -0.226381D+01 -0.674718D+00 -0.158392D+01  0.108182D+01 -0.278029D+01
                61            62            63            64            65 
      1  -0.663957D+00 -0.211388D+01 -0.120857D+01  0.350036D+01 -0.282047D-01
      2  -0.211388D+01  0.130162D+01 -0.562997D+01 -0.282047D-01  0.131973D+01
      3  -0.120857D+01 -0.562997D+01 -0.173511D+01  0.369796D+01 -0.651827D+00
                66            67            68            69            70 
      1   0.369796D+01  0.103120D+00  0.499648D+01 -0.105775D+00  0.632020D+01
      2  -0.651827D+00  0.499648D+01 -0.392737D+01  0.240745D+01 -0.702096D+00
      3   0.405031D+01 -0.105775D+00  0.240745D+01  0.139427D+00  0.466384D+01
                71            72            73            74            75 
      1  -0.702096D+00  0.466384D+01  0.190407D+01 -0.127284D+01 -0.143027D+01
      2   0.205380D+01  0.905829D-01 -0.127284D+01  0.897392D+00  0.919153D+00
      3   0.905829D-01 -0.571908D-01 -0.143027D+01  0.919153D+00  0.257873D+01
                76            77            78            79            80 
      1  -0.136475D+01  0.539407D+00  0.550787D+00 -0.196061D+01  0.948772D+00
      2   0.539407D+00 -0.167713D+01 -0.198814D+01  0.948772D+00 -0.225023D+01
      3   0.550787D+00 -0.198814D+01 -0.276159D+01  0.202296D+01 -0.275863D+01
                81            82            83            84            85 
      1   0.202296D+01  0.371112D+01  0.172325D+01 -0.179729D+01  0.169143D+01
      2  -0.275863D+01  0.172325D+01  0.192103D+01 -0.174941D+01  0.127613D+01
      3  -0.615516D+01 -0.179729D+01 -0.174941D+01  0.248601D+01 -0.129262D+01
                86            87            88            89            90 
      1   0.127613D+01 -0.129262D+01 -0.245804D+01 -0.171995D+01  0.211965D+01
      2   0.325574D+01 -0.197011D+01 -0.171995D+01 -0.222490D+01  0.204584D+01
      3  -0.197011D+01  0.177202D+01  0.211965D+01  0.204584D+01 -0.326153D+01
                91            92            93            94            95 
      1  -0.443261D+01 -0.183075D+01 -0.206294D+01 -0.261356D+01 -0.284545D+01
      2  -0.183075D+01 -0.149611D+01 -0.113611D+01 -0.284545D+01 -0.300138D+01
      3  -0.206294D+01 -0.113611D+01 -0.183030D+01 -0.111667D+01 -0.103945D+01
                96            97            98            99           100 
      1  -0.111667D+01 -0.529053D+01 -0.275467D+01 -0.326076D+01 -0.580683D+01
      2  -0.103945D+01 -0.275467D+01 -0.230346D+01 -0.265613D+01  0.180114D+01
      3  -0.171266D+01 -0.326076D+01 -0.265613D+01 -0.432152D+01  0.148314D+01
               101           102           103           104           105 
      1   0.180114D+01  0.148314D+01  0.496453D+01 -0.193730D+01 -0.142710D+01
      2  -0.140163D+01 -0.659757D+00 -0.193730D+01  0.194953D+01  0.910533D+00
      3  -0.659757D+00 -0.137628D+01 -0.142710D+01  0.910533D+00  0.110188D+01
               106           107           108           109           110 
      1   0.247370D+01 -0.799007D+00 -0.190441D+01 -0.455598D+00 -0.730851D+00
      2  -0.799007D+00  0.963419D+00  0.394594D+00 -0.730851D+00  0.866480D-01
      3  -0.190441D+01  0.394594D+00  0.136368D+01  0.383740D+00 -0.314641D+00
               111           112           113           114           115 
      1   0.383740D+00 -0.313413D+01 -0.303076D+01  0.820048D+00  0.191833D+01
      2  -0.314641D+00 -0.303076D+01 -0.669668D+01  0.304713D+01  0.108897D+01
      3  -0.210326D+00  0.820048D+00  0.304713D+01 -0.256223D+01 -0.177959D+01
               116           117           118           119           120 
      1   0.108897D+01 -0.177959D+01  0.174847D+01  0.130186D+01  0.120580D+01
      2   0.378714D+01 -0.317997D+01  0.130186D+01  0.191124D+01  0.126030D+01
      3  -0.317997D+01  0.290327D+01  0.120580D+01  0.126030D+01  0.113977D+01
               121           122           123           124           125 
      1   0.140977D+01  0.175681D+01  0.688348D+00  0.266723D+01  0.149337D+01
      2   0.175681D+01  0.588166D+01  0.211659D+01  0.149337D+01  0.480330D+01
      3   0.688348D+00  0.211659D+01  0.195306D+01  0.134809D+01  0.415181D+01
               126           127           128           129           130 
      1   0.134809D+01 -0.380181D+00  0.110978D+01 -0.610931D+00  0.185441D+01
      2   0.415181D+01  0.110978D+01 -0.977123D+00  0.641987D+00  0.689821D+00
      3   0.433875D+01 -0.610931D+00  0.641987D+00 -0.101488D+00  0.158138D+00
               131           132           133           134           135 
      1   0.689821D+00  0.158138D+00 -0.144514D+01  0.293099D+00  0.275529D+00
      2   0.102519D+02 -0.321915D+01  0.293099D+00 -0.518121D+01  0.366366D+01
      3  -0.321915D+01  0.208571D+01  0.275529D+00  0.366366D+01 -0.227095D+01
               136           137           138           139           140 
      1   0.528354D+01 -0.192750D+01 -0.228127D+01 -0.225338D+01 -0.293342D+01
      2  -0.192750D+01 -0.182146D+01 -0.772865D+00 -0.293342D+01  0.466393D+01
      3  -0.228127D+01 -0.772865D+00 -0.275088D+01 -0.807525D+00 -0.460382D+01
               141           142           143           144           145 
      1  -0.807525D+00 -0.319488D+01 -0.412098D+00 -0.327712D+01 -0.101522D+01
      2  -0.460382D+01 -0.412098D+00 -0.343903D+01 -0.115375D+01 -0.150918D+01
      3  -0.158108D+01 -0.327712D+01 -0.115375D+01 -0.438384D+00 -0.271074D+01
               146           147           148           149           150 
      1  -0.150918D+01 -0.271074D+01 -0.186905D+01 -0.541673D+01 -0.643806D+00
      2  -0.329452D+01 -0.446281D+00 -0.541673D+01  0.511153D+01 -0.233722D+01
      3  -0.446281D+00 -0.252658D+01 -0.643806D+00 -0.233722D+01 -0.168824D+01
               151           152           153           154           155 
      1  -0.298610D+01 -0.678825D+00 -0.363014D+01 -0.725166D+01  0.104220D+01
      2  -0.678825D+00 -0.266635D+01 -0.159763D+01  0.104220D+01 -0.784319D+00
      3  -0.363014D+01 -0.159763D+01  0.496206D+01  0.748969D+00  0.401097D+00
               156           157           158           159           160 
      1   0.748969D+00  0.141516D+01 -0.291631D+00  0.229511D+00  0.973913D+00
      2   0.401097D+00 -0.291631D+00 -0.241719D+00  0.623318D+00  0.138049D+00
      3  -0.247856D+01  0.229511D+00  0.623318D+00  0.701019D+00 -0.108295D+01
               161           162           163           164           165 
      1   0.138049D+00 -0.108295D+01  0.248570D+01  0.118924D+01  0.248486D+01
      2   0.619638D+00  0.325614D+00  0.118924D+01  0.129572D+01  0.964275D+00
      3   0.325614D+00  0.998053D+00  0.248486D+01  0.964275D+00  0.346550D+01
               166           167           168           169           170 
      1   0.207389D+01  0.145400D+01  0.162181D+01  0.196850D+01  0.770462D+00
      2   0.145400D+01  0.146390D+01  0.226219D+01  0.770462D+00  0.152835D+01
      3   0.162181D+01  0.226219D+01  0.362500D+01  0.245016D+01  0.167071D+01
               171           172           173           174           175 
      1   0.245016D+01  0.661053D+00 -0.100165D+01  0.104761D+01 -0.157503D+01
      2   0.167071D+01 -0.100165D+01  0.129543D+01 -0.492846D+00  0.186138D+01
      3   0.508597D+01  0.104761D+01 -0.492846D+00  0.118360D+01 -0.850718D+00
               176           177           178           179           180 
      1   0.186138D+01 -0.850718D+00  0.632863D+00 -0.313854D+00  0.859458D+00
      2  -0.665719D+01  0.372415D+01 -0.313854D+00  0.186259D+01 -0.159137D+01
      3   0.372415D+01 -0.337172D+01  0.859458D+00 -0.159137D+01  0.213515D+01
               181           182           183           184           185 
      1   0.134648D+01  0.337300D+00 -0.130376D+01  0.851692D+00  0.903684D+00
      2   0.337300D+00  0.532456D+00  0.113379D-01  0.903684D+00 -0.185077D+00
      3  -0.130376D+01  0.113379D-01  0.152321D+01 -0.212218D+00 -0.516389D+00
               186           187           188           189           190 
      1  -0.212218D+00 -0.348075D+01  0.132776D+00  0.306566D+01  0.241487D+01
      2  -0.516389D+00  0.132776D+00 -0.951688D+00  0.488304D+00 -0.160541D+01
      3   0.868711D+00  0.306566D+01  0.488304D+00 -0.675213D+01  0.586049D+00
               191           192           193           194           195 
      1  -0.160541D+01  0.586049D+00 -0.444062D+01  0.437809D+01 -0.388630D+00
      2   0.175105D+01 -0.239833D+00  0.437809D+01 -0.741318D+01  0.121706D+01
      3  -0.239833D+00  0.467932D+00 -0.388630D+00  0.121706D+01 -0.128330D+01
               196           197           198           199           200 
      1   0.158226D+01 -0.689599D+00  0.116666D+01  0.617057D+01  0.183389D+01
      2  -0.689599D+00  0.143190D+01 -0.903486D+00  0.183389D+01  0.162432D+01
      3   0.116666D+01 -0.903486D+00  0.373870D+00  0.201365D+01  0.763278D+00
               201           202           203           204           205 
      1   0.201365D+01  0.470432D+01  0.267860D+01  0.130586D+01  0.438599D+01
      2   0.763278D+00  0.267860D+01  0.176933D+01  0.130584D+01  0.103424D+01
      3   0.158761D+01  0.130586D+01  0.130584D+01  0.165207D+01  0.241972D+01
               206           207           208           209           210 
      1   0.103424D+01  0.241972D+01  0.116479D+00 -0.881493D+00  0.387244D+00
      2   0.151387D+01  0.106302D+01 -0.881493D+00 -0.130388D-01 -0.374924D+00
      3   0.106302D+01  0.181179D+01  0.387244D+00 -0.374924D+00 -0.196174D+00
               211           212           213           214           215 
      1  -0.178552D+01 -0.549207D+00  0.653724D-01  0.163536D+01  0.203264D+00
      2  -0.549207D+00 -0.915497D+01  0.149448D+01  0.203264D+00  0.421716D+01
      3   0.653724D-01  0.149448D+01 -0.144431D+01 -0.555376D+00 -0.242564D+01
               216           217           218           219           220 
      1  -0.555376D+00 -0.191595D+01 -0.943878D+00 -0.174594D+01 -0.686691D+00
      2  -0.242564D+01 -0.943878D+00 -0.174113D+01 -0.170142D+01 -0.992815D+00
      3   0.947974D+00 -0.174594D+01 -0.170142D+01 -0.201558D+01 -0.794101D+00
               221           222           223           224           225 
      1  -0.992815D+00 -0.794101D+00 -0.273049D+01 -0.139786D+01 -0.215899D+01
      2  -0.381879D+01 -0.217487D+01 -0.139786D+01 -0.305142D+01 -0.414281D+01
      3  -0.217487D+01 -0.220217D+01 -0.215899D+01 -0.414281D+01 -0.636916D+01
               226           227           228           229           230 
      1  -0.500878D+01  0.340499D+01  0.172760D+01  0.315323D+01 -0.234633D+01
      2   0.340499D+01 -0.258571D+01 -0.149458D+01 -0.234633D+01  0.484028D+01
      3   0.172760D+01 -0.149458D+01 -0.135672D+01 -0.105299D+01  0.166904D+01
               231           232           233           234 
      1  -0.105299D+01  0.217721D+01 -0.170549D+01 -0.153574D+01
      2   0.166904D+01 -0.170549D+01  0.229227D+01  0.737189D+00
      3   0.126471D+01 -0.153574D+01  0.737189D+00  0.108263D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.623299D+00  0.739764D+00 -0.108473D+01  0.109735D+01  0.100202D+02
      2  -0.344868D+01 -0.278345D+00 -0.367656D+01 -0.662452D+00 -0.411771D+01
      3   0.831053D+00 -0.294220D+01  0.185457D+01  0.748611D+01  0.865870D+01
                 6             7             8             9            10 
      1  -0.100695D+01  0.162019D+01  0.192485D+01  0.548824D+00 -0.133069D+01
      2  -0.198248D+00 -0.131491D+02 -0.316468D+01 -0.569996D+01 -0.180041D+01
      3   0.315909D+01  0.626178D+01 -0.368291D+00  0.384899D+01 -0.179309D+01
                11            12            13            14            15 
      1  -0.351877D+01 -0.384169D+00 -0.182099D+01 -0.961382D+01 -0.403152D+01
      2   0.425866D+01 -0.133784D+01  0.262159D+01  0.546069D+00  0.206926D+01
      3  -0.463989D+01 -0.349106D+01  0.801500D+01 -0.124041D+02  0.219581D+01
                16            17            18            19            20 
      1  -0.439895D+01  0.162808D+01 -0.224004D+01  0.135629D+01  0.380090D+01
      2  -0.636887D+01  0.656552D+01 -0.606190D+00 -0.234872D+01 -0.701279D+00
      3  -0.704420D+01  0.324902D+01 -0.506464D+01 -0.139039D+01 -0.466631D+01
                21            22            23            24            25 
      1   0.223095D+01  0.202280D+01 -0.988777D+01  0.461953D+01  0.444171D+01
      2   0.462324D+00 -0.151856D+01 -0.828355D+00 -0.395876D+01 -0.593068D+01
      3   0.379178D+00  0.395399D+01  0.148162D+02 -0.861841D+00  0.181419D+01
                26            27            28            29            30 
      1   0.174895D+02  0.376027D+01 -0.371084D-01 -0.477401D+00  0.259451D+00
      2  -0.491054D+01 -0.195833D+01 -0.140630D+01  0.563463D+01  0.259791D+01
      3  -0.298643D+01  0.298970D+01 -0.122111D+02 -0.190404D+02 -0.473930D+01
                31            32            33            34            35 
      1   0.832740D-01 -0.382613D+01  0.263945D+00  0.119810D+01  0.107645D+02
      2   0.723028D+01  0.375983D+01  0.971056D+01 -0.341239D+01  0.694272D+01
      3  -0.146270D+02 -0.432744D+02 -0.291694D+01 -0.715254D+01 -0.465601D+01
                36            37            38            39            40 
      1   0.228601D+01  0.164162D+01  0.461810D+01  0.405325D+01  0.353625D+01
      2   0.554028D+01 -0.446570D+01 -0.112724D+02 -0.495723D+01 -0.771847D+01
      3  -0.777698D+01 -0.213561D+01  0.125556D+02  0.900213D+01  0.255205D+02
                41            42            43            44            45 
      1  -0.318342D+01  0.177264D+01  0.851260D+01  0.911638D+01  0.256403D+01
      2   0.100469D+02 -0.963695D+01 -0.197909D+02 -0.191674D+02 -0.587262D+01
      3   0.141905D+02 -0.133001D+02  0.653560D+01 -0.159903D+02  0.116686D+02
                46            47            48            49            50 
      1  -0.358342D+00 -0.202698D+01 -0.146806D+01 -0.110788D+01  0.532425D+01
      2  -0.246320D+01 -0.435019D+01 -0.340556D+01 -0.300700D+01 -0.118373D+01
      3   0.554736D+01  0.921319D+01  0.443134D+01  0.199419D+02  0.463218D+02
                51            52            53            54            55 
      1  -0.343344D+01  0.392745D+00  0.120081D+01 -0.103533D+01  0.153174D+01
      2  -0.753371D+01 -0.133896D+02 -0.106817D+02 -0.408325D+01 -0.205119D+01
      3   0.291468D+01  0.628506D+01  0.296561D+01  0.970749D+01 -0.459447D+01
                56            57            58            59            60 
      1   0.617456D+01  0.195952D+01  0.334024D+01 -0.512315D+01  0.628373D+01
      2   0.739163D+00  0.143513D+01  0.750488D+00  0.712903D+00  0.410022D+00
      3  -0.101987D+02 -0.311366D+01 -0.334123D+01 -0.134562D+02 -0.271006D+01
                61            62            63            64            65 
      1   0.577654D+01  0.219479D+02  0.635945D+01  0.204149D+01  0.292174D+01
      2  -0.280639D+01 -0.178481D+01  0.616171D+00  0.135471D+02 -0.298995D+01
      3  -0.552148D+01 -0.540578D+01 -0.517985D+01 -0.155228D+00 -0.868957D+01
                66            67            68            69            70 
      1   0.172035D+01 -0.431348D+01  0.113119D+01 -0.542216D+01  0.415129D+00
      2   0.139427D+02 -0.129148D+00  0.660742D+01  0.119153D+01  0.402809D+01
      3   0.609164D+00 -0.656905D+01  0.773107D+01 -0.519090D+01 -0.577627D+00
                71            72            73            74            75 
      1   0.585680D+01 -0.385006D+00  0.501140D+00 -0.801231D+00  0.129263D+01
      2   0.886719D+00 -0.163711D+01  0.291208D+01 -0.984617D+00  0.152670D+01
      3  -0.552627D+01 -0.189511D+01 -0.613809D+00 -0.136648D+01  0.270835D+00
                76            77            78            79            80 
      1  -0.132978D-01  0.123756D+01 -0.892897D+00  0.707437D+00  0.364866D+01
      2  -0.201420D+01 -0.110778D+01 -0.193055D+01 -0.427191D+01 -0.585682D+00
      3   0.315127D+01  0.616964D+00  0.125538D+01  0.213733D+01  0.228731D+01
                81            82            83            84            85 
      1  -0.159646D+01  0.115485D+01 -0.395815D+00 -0.202593D+01  0.448803D+00
      2  -0.167696D+01  0.237205D+01 -0.757326D+00  0.299448D+01  0.280929D-01
      3   0.492648D+00  0.373520D+01 -0.225650D+01 -0.123805D+00  0.332119D+01
                86            87            88            89            90 
      1  -0.156774D+01 -0.186425D+01 -0.144223D+01  0.175183D+01  0.288223D+01
      2  -0.100871D+01  0.125554D+01 -0.244786D+01  0.427401D-04 -0.212476D+01
      3  -0.265065D+01  0.715229D+00 -0.192817D+01  0.176670D+01  0.101297D+01
                91            92            93            94            95 
      1  -0.326390D+01 -0.146773D+01 -0.279026D+01 -0.209881D+01 -0.972634D+00
      2   0.730517D+01  0.440652D+01  0.834906D+01  0.424667D+01  0.398856D+01
      3  -0.250209D+01 -0.599087D+01 -0.255884D+01 -0.608968D+01 -0.873470D+01
                96            97            98            99           100 
      1  -0.327544D+01 -0.484147D+01 -0.239306D+01 -0.562403D+01  0.217017D+01
      2   0.704062D+01  0.998728D+01  0.992445D+01  0.168410D+02 -0.389150D+01
      3  -0.246643D+01 -0.354326D+01 -0.645426D+01 -0.657469D+01  0.109975D+02
               101           102           103           104           105 
      1  -0.176207D+01 -0.100248D+01 -0.153997D+01  0.235772D+01 -0.297415D+00
      2   0.212454D+01  0.648494D+01  0.335704D+01 -0.306169D+01 -0.481517D+01
      3  -0.861464D+01 -0.405855D+01 -0.771549D+01  0.103384D+02  0.437055D+01
               106           107           108           109           110 
      1  -0.184068D+01  0.160189D+01  0.714917D+00 -0.288641D+00 -0.892979D+00
      2   0.433822D+01 -0.125399D+01 -0.477606D+01 -0.137596D+01  0.187147D+01
      3  -0.463412D+01  0.541468D+01  0.255201D+01 -0.278759D+01 -0.701223D+00
               111           112           113           114           115 
      1  -0.274210D+00  0.100573D+01  0.950768D+00 -0.419678D+01 -0.246864D+01
      2   0.114368D+01 -0.130604D+01 -0.103511D+02  0.957332D+01  0.351758D+01
      3  -0.125255D+01 -0.572592D+01 -0.219653D+02  0.103931D+02  0.142413D+01
               116           117           118           119           120 
      1  -0.146152D+01  0.320414D+01 -0.420468D+01 -0.321946D+01 -0.389485D+01
      2   0.107677D+02 -0.100014D+02 -0.134630D+01 -0.965311D+00  0.918541D+00
      3   0.140246D+02 -0.988046D+01  0.582919D+01  0.166139D+01  0.344189D+01
               121           122           123           124           125 
      1  -0.115579D+01 -0.476916D+01 -0.639952D+01 -0.373147D+01 -0.898751D+01
      2  -0.587241D+00 -0.972951D+00  0.130031D+00 -0.222890D+01 -0.638009D+00
      3   0.611550D+01  0.649234D+01  0.216120D+01  0.984633D+01  0.483046D+01
               126           127           128           129           130 
      1  -0.127419D+02  0.144997D+01 -0.202102D+01  0.147884D+00  0.362839D+00
      2  -0.927953D+00  0.727333D+00  0.738559D+00  0.104496D+01  0.169577D+00
      3   0.428074D+01 -0.103657D+01  0.649295D+00 -0.111593D+01  0.805116D+01
               131           132           133           134           135 
      1   0.663186D+01 -0.707422D+01 -0.237512D+01 -0.698967D+01  0.597059D+01
      2  -0.793830D+00 -0.140040D+00 -0.196004D+01  0.513386D-01  0.362340D-01
      3   0.535391D+01 -0.304953D+00 -0.445555D+01 -0.259344D+00  0.217982D+01
               136           137           138           139           140 
      1  -0.705265D+01 -0.446065D+01 -0.310212D+01 -0.724028D+01  0.804101D+01
      2  -0.179118D+02  0.302911D+01  0.501811D+01  0.386452D+01 -0.240655D+01
      3   0.154991D+00  0.153378D+01  0.271938D+01  0.874897D+01 -0.624885D+01
               141           142           143           144           145 
      1  -0.144534D+02 -0.273815D+01 -0.740005D+01 -0.367623D+01 -0.149344D+01
      2  -0.431218D+00  0.917842D+00 -0.758079D+00  0.479241D+01 -0.982517D+01
      3   0.794250D+01  0.254389D+01  0.577964D+01  0.351848D+01  0.711942D+01
               146           147           148           149           150 
      1  -0.411558D+00 -0.196941D+01  0.250058D+00 -0.210812D+01 -0.218089D+01
      2  -0.187595D+01 -0.998427D+01 -0.255887D+01 -0.998410D+01 -0.613373D+01
      3   0.130835D+02  0.314516D+01  0.251266D+02 -0.165492D+02  0.929557D+01
               151           152           153           154           155 
      1  -0.270085D+01  0.140291D+01  0.323308D+01  0.428945D+01 -0.310916D+01
      2  -0.184390D+02 -0.526564D+01  0.176212D+02  0.228719D+02 -0.307962D+01
      3   0.381686D+01  0.938154D+01  0.766388D+01  0.305930D+01 -0.106783D+01
               156           157           158           159           160 
      1  -0.109467D+00 -0.199330D+01  0.523938D+00 -0.609861D-02 -0.581994D+00
      2  -0.113464D+01 -0.422009D+01  0.121256D+01 -0.142675D+00 -0.457494D+01
      3  -0.329988D+00  0.183171D+01 -0.232889D-01 -0.387180D+00 -0.263348D+00
               161           162           163           164           165 
      1   0.148460D+01  0.682618D+00  0.372842D+01  0.492725D+01  0.293997D+01
      2   0.223949D+00  0.229825D+01 -0.131950D+01 -0.863517D+00  0.286305D+01
      3   0.380700D+00  0.184102D+00 -0.198956D+01 -0.393893D+01 -0.233193D+01
               166           167           168           169           170 
      1   0.375402D+01  0.540898D+01  0.482285D+01  0.307588D+01  0.624201D+01
      2  -0.311350D+01  0.919808D+00  0.304787D+01 -0.312627D+01  0.593457D+00
      3  -0.122481D+01 -0.344940D+01 -0.392275D+01 -0.136642D+01 -0.349928D+01
               171           172           173           174           175 
      1   0.569384D+01 -0.807038D+00  0.278346D+01  0.652504D+00  0.330419D+01
      2   0.328799D+01  0.661821D+00  0.355466D+00  0.111589D+01  0.319543D+01
      3  -0.343977D+01  0.800595D+00 -0.248720D+01  0.475375D+00  0.142133D+01
               176           177           178           179           180 
      1  -0.131047D+02  0.252463D+01 -0.448316D+00  0.478640D+01 -0.173902D+01
      2   0.287039D+01 -0.436974D+01 -0.158667D+01 -0.128698D+01  0.184917D+01
      3   0.968381D+01 -0.520856D+01 -0.619519D+00 -0.277545D+01  0.193254D+01
               181           182           183           184           185 
      1  -0.901558D+00 -0.540575D+00  0.834240D+00 -0.132819D+00 -0.406251D+00
      2  -0.444173D+01  0.174574D+00  0.637936D+01  0.189000D+00 -0.102569D+01
      3  -0.168290D+01 -0.245572D+01  0.785859D+00 -0.196238D+01 -0.765928D-01
               186           187           188           189           190 
      1  -0.317023D+00  0.128716D+01  0.329755D+01 -0.355393D+01  0.440970D+00
      2   0.321457D+01  0.551773D+01  0.213449D+01 -0.236661D+02  0.220573D+01
      3   0.164277D+01  0.938776D+00  0.445021D+01 -0.320544D+01  0.449796D+01
               191           192           193           194           195 
      1  -0.276887D+00  0.933293D+00 -0.217759D+00  0.121149D+01 -0.382825D+01
      2  -0.119539D+01  0.318842D+01 -0.160645D+01  0.500961D+01 -0.579872D+01
      3  -0.729628D+01  0.648510D+00 -0.971695D+01  0.252782D+02 -0.438126D+01
               196           197           198           199           200 
      1   0.599008D+00  0.294253D+00  0.701071D+00  0.125717D+01  0.854627D+00
      2   0.258261D+01 -0.261759D+01  0.137958D+01  0.750164D+01  0.313340D+01
      3   0.674328D+00 -0.518091D+01  0.218664D+01 -0.963676D+01 -0.891356D+01
               201           202           203           204           205 
      1   0.176578D+00  0.844801D+00  0.108830D+01 -0.796092D+00  0.114258D+01
      2   0.836918D+01  0.455170D+01  0.501000D+01  0.739195D+01  0.661590D+01
      3  -0.401734D+01 -0.957755D+01 -0.859631D+01 -0.545277D+01 -0.514065D+01
               206           207           208           209           210 
      1   0.173031D+01  0.117375D+00  0.230238D+01 -0.968643D+00  0.284662D+00
      2   0.400136D+01  0.726191D+01 -0.740732D+00  0.610332D+00  0.158848D+01
      3  -0.741744D+01 -0.500373D+01 -0.181328D+01 -0.385456D-01 -0.146767D+01
               211           212           213           214           215 
      1   0.769274D+00  0.102441D+02 -0.658906D+01 -0.111127D+01 -0.733246D+01
      2  -0.131490D+01 -0.265534D+01  0.167292D+01  0.644832D+00  0.305721D+01
      3   0.588968D+01 -0.110316D+02  0.126354D+01 -0.490227D+01  0.558734D+01
               216           217           218           219           220 
      1   0.505029D+01 -0.219615D+01 -0.170548D+01 -0.280257D+01 -0.355387D+00
      2  -0.196649D+01 -0.369256D+00  0.105053D+01  0.200783D+01 -0.554395D+00
      3  -0.228057D+01  0.280408D+01 -0.296793D+01 -0.146013D+00  0.216421D+01
               221           222           223           224           225 
      1   0.533257D+00 -0.312732D+01 -0.144507D+01 -0.277693D+01 -0.781912D+01
      2   0.159611D+01  0.184228D+01 -0.368257D+01  0.335748D+01  0.518589D+01
      3  -0.418299D+01 -0.107806D+01  0.371674D+01 -0.196899D+01 -0.210674D+01
               226           227           228           229           230 
      1  -0.130816D+01  0.123600D+01  0.342299D+01  0.979553D+00 -0.136054D+01
      2  -0.708208D+00  0.240577D+01  0.475306D+01  0.106922D+00 -0.278257D+01
      3  -0.317348D+01 -0.174462D+01 -0.236333D+00  0.306178D+01  0.530234D+01
               231           232           233           234 
      1  -0.278237D+01  0.309435D+01  0.249259D+01 -0.213809D+01
      2  -0.346097D+01  0.176514D+01  0.146815D+01 -0.190196D+01
      3   0.106148D+01  0.115413D+01  0.237097D+01 -0.181060D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116523D+02 -0.489147D+01 -0.877472D+01 -0.525277D+01 -0.252863D+01
      2   0.852241D+01  0.199400D+01  0.548490D+00  0.117275D+01  0.774247D+01
      3   0.312993D+01  0.289747D+01  0.822623D+01  0.408002D+01 -0.521384D+01
      4   0.203358D+01 -0.562280D+00 -0.243624D+01 -0.194921D+01 -0.255497D+01
      5   0.439745D+00 -0.450379D+01 -0.935513D+01  0.114114D+01  0.385177D+00
      6  -0.231470D+01  0.245310D+00  0.435988D+01  0.283030D+01  0.315352D+01
                 6             7             8             9            10 
      1   0.587382D+01 -0.188486D+02 -0.999586D+00 -0.213894D+01 -0.670521D+01
      2  -0.193844D+01  0.583851D+01  0.254528D+01  0.546379D+01  0.656559D+01
      3  -0.393538D+01  0.130101D+02 -0.154569D+01 -0.332485D+01  0.139619D+00
      4   0.283230D+00 -0.585059D+01  0.669935D+01  0.818198D+01 -0.118308D+01
      5   0.506462D+01 -0.767133D+01  0.694800D+01  0.887046D+01  0.429729D+01
      6  -0.427000D+01  0.790351D+01 -0.373495D+01 -0.657031D+01  0.508761D+01
                11            12            13            14            15 
      1   0.665188D+01 -0.368991D+01  0.732197D+01 -0.102960D+02  0.113262D+00
      2  -0.145800D+00  0.260840D+01 -0.238648D+01  0.118095D+02  0.227884D+01
      3  -0.650608D+01  0.108151D+01 -0.493549D+01 -0.151356D+01 -0.239210D+01
      4  -0.532179D+01  0.959788D+01 -0.101316D+02  0.646573D+01  0.652574D+01
      5   0.774466D+01 -0.852510D+01  0.240473D+01  0.357472D+01 -0.315356D+01
      6   0.167643D+01 -0.587239D+01  0.611719D+01  0.255122D+01 -0.960191D+00
                16            17            18            19            20 
      1  -0.552056D+01  0.116445D+02 -0.632105D+01  0.819825D+00  0.831774D+01
      2   0.320117D+01 -0.612781D+01  0.697284D+01  0.147035D+01 -0.232046D+01
      3   0.231939D+01 -0.551666D+01 -0.651790D+00 -0.229017D+01 -0.599728D+01
      4   0.165581D+02  0.543823D+01 -0.285719D+01  0.309207D+01  0.128238D+01
      5  -0.843295D+01 -0.379502D+01  0.475395D+01 -0.367510D+01 -0.293317D+01
      6  -0.638317D+01 -0.456832D+00  0.365459D+01 -0.764981D+00 -0.500607D+01
                21            22            23            24            25 
      1   0.545498D+01  0.129673D+02  0.207516D+02 -0.423518D+01  0.652118D+01
      2  -0.110666D+01 -0.756607D+01 -0.250418D+02  0.106857D+02  0.212616D+00
      3  -0.434833D+01 -0.540119D+01  0.429020D+01 -0.645051D+01 -0.673380D+01
      4  -0.506638D+01 -0.690802D+00 -0.182299D+02 -0.551195D+01 -0.558350D+01
      5  -0.700539D+01 -0.456851D+01 -0.529107D+01 -0.965811D+01 -0.945686D+01
      6  -0.690314D+01 -0.363658D+01  0.209439D+01 -0.963905D+01 -0.995021D+01
                26            27            28            29            30 
      1  -0.384375D+01  0.853431D+01  0.207268D+02  0.136496D+02  0.115899D+01
      2   0.206543D+02 -0.148680D+01 -0.150885D+02 -0.753903D+01 -0.223028D+01
      3  -0.168106D+02 -0.704751D+01 -0.563824D+01 -0.611061D+01  0.107129D+01
      4  -0.723500D+01 -0.159838D+02  0.473609D+01  0.203134D+02  0.602525D+01
      5  -0.149007D+02 -0.141815D+02  0.411985D+01  0.435133D+01  0.558812D+01
      6  -0.211347D+02 -0.155745D+02  0.112226D+01 -0.335877D+00 -0.220181D+01
                31            32            33            34            35 
      1   0.139520D+02  0.291322D+02  0.850568D+01  0.821493D+01  0.785757D+01
      2  -0.978291D+01 -0.207073D+02 -0.269086D+01 -0.735930D+01 -0.643101D+01
      3  -0.416910D+01 -0.842490D+01 -0.581482D+01 -0.855634D+00 -0.142656D+01
      4   0.231401D+02  0.526217D+02  0.103834D+01  0.592059D+01  0.435966D+01
      5   0.620863D+01 -0.548221D+00  0.120645D+02  0.168130D+02  0.100858D+02
      6  -0.179393D+01  0.424975D+01  0.182621D+01 -0.189816D+00  0.988682D+01
                36            37            38            39            40 
      1   0.710974D+01 -0.199915D+02  0.182690D+01 -0.271005D+01  0.107554D+02
      2  -0.127744D+02  0.151997D+02 -0.226164D+01 -0.201546D+00 -0.749686D+01
      3   0.566470D+01  0.479181D+01  0.434747D+00  0.291160D+01 -0.325850D+01
      4   0.724420D+01  0.402540D+01 -0.225398D+02 -0.190623D+02 -0.349297D+02
      5   0.906860D+01 -0.570028D+01 -0.202533D+02 -0.152669D+02 -0.182290D+02
      6  -0.146019D+01 -0.785881D+01 -0.464953D+01 -0.401121D+01  0.239594D+01
                41            42            43            44            45 
      1  -0.238632D+02 -0.232697D+02 -0.957535D+01 -0.281685D+02 -0.179572D+02
      2   0.116836D+02  0.156346D+02  0.459095D+01  0.202170D+02  0.723828D+01
      3   0.121796D+02  0.763511D+01  0.498440D+01  0.795150D+01  0.107189D+02
      4  -0.253382D+02  0.154322D+02 -0.212303D+02  0.145470D+02 -0.258153D+02
      5   0.194014D+02 -0.181876D+02 -0.326886D+02 -0.301695D+02 -0.107557D+02
      6   0.110635D+02 -0.130360D+02 -0.113145D+02 -0.193796D+02 -0.115999D+01
                46            47            48            49            50 
      1  -0.214249D+02 -0.122949D+02 -0.133643D+01 -0.258481D+02 -0.407564D+02
      2   0.130707D+02  0.133599D+02  0.213607D+01  0.237693D+02  0.375120D+02
      3   0.835416D+01 -0.106503D+01 -0.799642D+00  0.207872D+01  0.324439D+01
      4   0.715763D+01 -0.167992D+02 -0.125001D+02 -0.233243D+02 -0.350373D+02
      5   0.995067D+01 -0.986013D+01 -0.390183D+01 -0.944131D+01  0.728730D+01
      6  -0.702896D+01  0.790731D+01  0.275710D+01  0.813708D+01 -0.112247D+02
                51            52            53            54            55 
      1  -0.426917D+01 -0.284199D+01 -0.831429D+01 -0.152199D+02  0.665764D+01
      2   0.568199D+00  0.326203D+01 -0.404991D+01  0.253280D+01 -0.561248D+01
      3   0.370097D+01 -0.420042D+00  0.123642D+02  0.126871D+02 -0.104515D+01
      4   0.947194D+01 -0.186666D+02  0.138385D+02 -0.893349D+01  0.862821D+00
      5  -0.948777D+01 -0.623892D+00 -0.889466D+01 -0.136126D+01 -0.385835D+01
      6   0.336269D+01  0.497296D+01  0.160182D+02  0.970129D+00 -0.189860D+01
                56            57            58            59            60 
      1   0.995843D+01  0.728668D+01  0.110827D+02  0.410692D+02 -0.402675D+01
      2  -0.110455D+02 -0.980619D+01 -0.113808D+02 -0.440404D+02  0.895859D+01
      3   0.108711D+01  0.251951D+01  0.298100D+00  0.297120D+01 -0.493183D+01
      4   0.223429D+01  0.282170D+00  0.729401D+01  0.342199D+01 -0.104761D+02
      5  -0.323898D+00 -0.303200D+01  0.136648D+00 -0.659015D+01  0.489891D+00
      6  -0.102647D+02 -0.286442D+01 -0.573796D+01  0.118098D+02 -0.168684D+02
                61            62            63            64            65 
      1   0.826892D+01 -0.696722D+01  0.230013D+02  0.152659D+01  0.334906D+01
      2  -0.778222D+01  0.142124D+02 -0.258775D+02 -0.592038D+01 -0.375620D+01
      3  -0.486696D+00 -0.724520D+01  0.287615D+01  0.439379D+01  0.407144D+00
      4  -0.159217D+01 -0.135472D+02 -0.318506D+01  0.270682D+01  0.462122D+01
      5  -0.128125D+01 -0.365490D+01 -0.404572D+01  0.119015D+02 -0.656174D+00
      6  -0.948952D+01 -0.369384D+02 -0.747826D+01 -0.162475D+01  0.455724D+01
                66            67            68            69            70 
      1   0.111043D+02  0.569964D+01  0.135618D+02  0.888139D+00  0.199030D+02
      2  -0.809764D+01 -0.417362D+01 -0.835371D+01 -0.206701D+01 -0.132283D+02
      3  -0.300667D+01 -0.152602D+01 -0.520805D+01  0.117887D+01 -0.667469D+01
      4  -0.303869D+01  0.181461D+02 -0.143203D+02  0.709494D+01 -0.450377D+01
      5   0.133217D+02 -0.230859D+00  0.792362D+01  0.195044D+01  0.193977D+02
      6  -0.258681D+00  0.564925D+00 -0.541431D+01  0.336315D+01 -0.263487D+01
                71            72            73            74            75 
      1  -0.145413D+01  0.129157D+02  0.222369D+01  0.588136D+00  0.330527D+01
      2  -0.911297D+00 -0.112470D+02 -0.462366D+01  0.887865D+00  0.373383D+01
      3   0.236543D+01 -0.166877D+01  0.239997D+01 -0.147600D+01 -0.703910D+01
      4   0.593123D+01 -0.987079D+00 -0.676888D+01  0.690809D+01  0.512869D+01
      5   0.649901D+00 -0.172745D+01 -0.836316D+01  0.523054D+01  0.129017D+02
      6   0.475668D+01  0.830091D+00  0.504356D+01 -0.424819D+01 -0.598861D+01
                76            77            78            79            80 
      1   0.507463D+00 -0.891797D+01 -0.876922D+01  0.250563D+01 -0.794385D+01
      2   0.100014D+01  0.373523D+01  0.342470D+00  0.392943D+01 -0.117247D+01
      3  -0.150760D+01  0.518274D+01  0.842675D+01 -0.643506D+01  0.911632D+01
      4   0.442678D+01 -0.483296D+01 -0.558555D+01  0.514774D+01 -0.631330D+01
      5   0.447294D+01 -0.570290D+01 -0.705074D+01  0.985683D+01 -0.754379D+01
      6  -0.318640D+01  0.949113D+01  0.124771D+02 -0.512210D+01  0.128068D+02
                81            82            83            84            85 
      1  -0.183901D+02  0.939166D+01  0.222271D+00  0.411999D-01 -0.903594D+00
      2  -0.952727D+01 -0.665654D+01  0.866002D+00  0.240853D+01  0.101808D+01
      3   0.279174D+02 -0.273513D+01 -0.108827D+01 -0.244973D+01 -0.114491D+00
      4  -0.880593D+01  0.140157D+02  0.132639D+02 -0.970005D+01  0.100833D+02
      5  -0.164992D+02 -0.125120D+02 -0.842737D+01  0.133768D+02 -0.674732D+01
      6   0.179223D+02 -0.825125D+01 -0.774062D+01  0.815218D+01 -0.659509D+01
                86            87            88            89            90 
      1  -0.658006D+01  0.341314D+01 -0.124646D+01  0.285530D+01 -0.561463D+01
      2   0.800155D+01 -0.176124D+01  0.327142D+01 -0.669537D+00 -0.386833D+01
      3  -0.142149D+01 -0.165190D+01 -0.202496D+01 -0.218576D+01  0.948296D+01
      4   0.135478D+02 -0.896763D+01 -0.942796D+01 -0.101212D+02  0.107032D+02
      5  -0.819247D+01  0.677744D+01  0.114981D+02  0.904436D+01 -0.132495D+02
      6  -0.119703D+02  0.110831D+02  0.868800D+01  0.124170D+02 -0.136300D+02
                91            92            93            94            95 
      1   0.340746D+02  0.118008D+02  0.146207D+02  0.147488D+02  0.115025D+02
      2  -0.185119D+02 -0.444422D+01 -0.740653D+01 -0.546296D+01 -0.254403D+01
      3  -0.155627D+02 -0.735659D+01 -0.721420D+01 -0.928585D+01 -0.895848D+01
      4   0.159483D+02  0.136708D+02  0.101118D+02  0.215271D+02  0.208396D+02
      5   0.186354D+02  0.100426D+02  0.175518D+02  0.100216D+02  0.836646D+01
      6   0.592372D+01  0.322850D+01  0.437984D+01  0.407418D+01  0.390048D+01
                96            97            98            99           100 
      1   0.660804D+01  0.348014D+02  0.145792D+02  0.150549D+02  0.492953D+02
      2  -0.203497D+01 -0.197057D+02 -0.674832D+01 -0.118420D+02 -0.284808D+02
      3  -0.457307D+01 -0.150957D+02 -0.783091D+01 -0.321290D+01 -0.208145D+02
      4   0.863319D+01  0.220402D+02  0.178020D+02  0.183243D+02 -0.141273D+02
      5   0.132628D+02  0.298860D+02  0.208427D+02  0.339424D+02 -0.153902D+02
      6   0.781774D+01  0.950576D+01  0.110399D+02  0.107261D+02  0.121808D+01
               101           102           103           104           105 
      1  -0.152137D+02 -0.114507D+02 -0.362287D+02  0.124704D+02  0.903465D+01
      2   0.970485D+01  0.850414D+01  0.208183D+02 -0.631175D+01 -0.723131D+01
      3   0.550880D+01  0.294651D+01  0.154103D+02 -0.615860D+01 -0.180335D+01
      4   0.128991D+02  0.514164D+01  0.176882D+02 -0.169805D+02 -0.700282D+01
      5   0.617865D+01  0.140844D+02  0.128764D+02 -0.743079D+01 -0.101515D+02
      6  -0.451144D+00  0.348337D+00 -0.169064D+01  0.189338D+01  0.288854D+01
               106           107           108           109           110 
      1  -0.182650D+02  0.635244D+01  0.101386D+02  0.422670D+01  0.657622D+01
      2   0.127874D+02 -0.562153D+01 -0.902593D+01 -0.234301D+01 -0.401521D+01
      3   0.547757D+01 -0.730910D+00 -0.111269D+01 -0.188369D+01 -0.256101D+01
      4   0.617445D+01 -0.716519D+01 -0.342043D+01  0.432669D+01  0.451054D+01
      5   0.175142D+02 -0.388093D+01 -0.116086D+02 -0.242175D+01  0.496911D-01
      6  -0.638371D+00  0.394552D+01  0.109328D+01 -0.169776D+01  0.144478D+01
               111           112           113           114           115 
      1  -0.378313D+01  0.138845D+02 -0.156632D+01  0.544188D+01 -0.844121D+01
      2   0.173452D+01 -0.491234D+01  0.117507D+02 -0.498462D+01  0.464671D+01
      3   0.204862D+01 -0.897216D+01 -0.101844D+02 -0.457257D+00  0.379450D+01
      4  -0.317530D+00  0.217327D+02  0.394340D+02 -0.180174D+02 -0.860966D+01
      5   0.450367D+01 -0.762654D+01 -0.203572D+02  0.182439D+02  0.161704D+02
      6   0.336775D+00 -0.655932D+01 -0.178623D+02  0.136035D+02  0.734963D+01
               116           117           118           119           120 
      1   0.685096D+01 -0.107519D+01 -0.253807D+01 -0.638930D+01 -0.445291D+01
      2  -0.656734D+01 -0.214266D+01  0.265038D+01  0.840692D+01  0.442794D+01
      3  -0.283623D+00  0.321785D+01 -0.112302D+00 -0.201762D+01  0.249702D-01
      4  -0.225158D+02  0.185550D+02  0.595071D+01  0.851330D+01  0.497921D+01
      5   0.217448D+02 -0.190191D+02  0.243734D+01  0.342033D+01  0.514377D+01
      6   0.166659D+02 -0.130031D+02  0.680147D+01  0.728935D+01  0.585973D+01
               121           122           123           124           125 
      1  -0.548810D+01 -0.239763D+02 -0.864413D+01 -0.718523D+01 -0.198364D+02
      2   0.708406D+01  0.292090D+02  0.945341D+01  0.594517D+01  0.201309D+02
      3  -0.159595D+01 -0.523275D+01 -0.809275D+00  0.124006D+01 -0.294455D+00
      4   0.391652D+01  0.368747D+01  0.353436D+01  0.611344D+01  0.589941D+01
      5   0.177190D+01  0.270723D+01  0.135422D+01  0.529095D+01  0.397088D+01
      6   0.424490D+01  0.140994D+02  0.145663D+02  0.770742D+01  0.274929D+02
               126           127           128           129           130 
      1  -0.193491D+02 -0.105863D+01  0.303762D+01 -0.199782D+01 -0.369377D+01
      2   0.138724D+02  0.420950D+01 -0.600903D+01  0.234615D+01  0.172579D+01
      3   0.547670D+01 -0.315086D+01  0.297140D+01 -0.348329D+00  0.196798D+01
      4   0.436049D+01 -0.366863D+01  0.108369D+02 -0.355205D+01  0.574112D+01
      5   0.311276D+01  0.232296D+01 -0.224666D+01  0.388125D+01 -0.184615D+01
      6   0.234839D+02 -0.403930D+01  0.476757D+01 -0.639941D+00  0.465208D+00
               131           132           133           134           135 
      1  -0.426935D+02  0.133999D+02  0.335139D+00  0.232556D+02 -0.168005D+02
      2   0.595535D+02 -0.173910D+02  0.909874D+00 -0.285087D+02  0.152926D+02
      3  -0.168600D+02  0.399114D+01 -0.124501D+01  0.525306D+01  0.150786D+01
      4  -0.952390D+01  0.412288D+01 -0.384713D+01  0.546722D+01 -0.300009D+01
      5   0.304505D+01 -0.136444D+01  0.318165D+01 -0.162528D+01  0.229993D+01
      6  -0.268307D+02  0.165436D+02  0.213107D+01  0.272788D+02 -0.159989D+02
               136           137           138           139           140 
      1   0.153156D+02 -0.458698D+01 -0.186385D+00 -0.722880D+01  0.650447D+01
      2  -0.954221D+00  0.682321D+01  0.761646D+01  0.110430D+02 -0.217729D+01
      3  -0.143614D+02 -0.223623D+01 -0.743008D+01 -0.381420D+01 -0.432718D+01
      4  -0.854543D+01 -0.300546D+01 -0.215146D+01 -0.940034D+01  0.149417D+02
      5   0.104285D+01 -0.672270D+01 -0.139885D+02 -0.834483D+01 -0.196825D+02
      6  -0.523002D+01 -0.885974D+01 -0.335585D+01 -0.133184D+02  0.196093D+02
               141           142           143           144           145 
      1  -0.448623D+01 -0.138723D+01 -0.224487D+01 -0.949955D+01  0.322241D+01
      2   0.145197D+02  0.817597D+01  0.109916D+02  0.322955D+01 -0.106877D+01
      3  -0.100335D+02 -0.678874D+01 -0.874676D+01  0.627000D+01 -0.215365D+01
      4  -0.158993D+02 -0.602326D+00 -0.104306D+02 -0.357465D+01 -0.155155D+02
      5  -0.871460D+01 -0.198852D+02 -0.603675D+01 -0.111783D+02 -0.194939D+02
      6  -0.184298D+02 -0.237065D+01 -0.154206D+02 -0.805004D+01  0.655314D+00
               146           147           148           149           150 
      1  -0.166943D+02 -0.168543D+02 -0.220531D+02 -0.212778D+02 -0.810670D+01
      2   0.136361D+02  0.693648D+01  0.204095D+02  0.192756D+00  0.678196D+01
      3   0.305816D+01  0.991783D+01  0.164358D+01  0.210850D+02  0.132473D+01
      4  -0.230917D+02 -0.346794D+01 -0.386017D+02  0.347005D+02 -0.168184D+02
      5  -0.376362D+01 -0.185799D+02 -0.587377D+01 -0.153430D+02 -0.116389D+02
      6  -0.168858D+01  0.838468D+00 -0.257172D+01  0.245472D+01 -0.982733D+00
               151           152           153           154           155 
      1  -0.219520D+02 -0.772062D+01 -0.190990D+02 -0.836097D+01 -0.782201D-01
      2   0.635110D+01  0.642390D+01  0.163219D+02  0.227172D+01 -0.376937D+00
      3   0.156009D+02  0.129672D+01  0.277716D+01  0.608925D+01  0.455157D+00
      4  -0.514206D+01 -0.178866D+02 -0.963092D+01  0.557590D+01 -0.110020D+00
      5  -0.250272D+02 -0.101496D+02  0.307032D+02 -0.145997D+02  0.178069D+01
      6   0.649788D+00  0.140383D+01 -0.369590D+01  0.183068D+01 -0.361425D+01
               156           157           158           159           160 
      1   0.943760D+01  0.161721D+01 -0.223027D+01 -0.128442D+01  0.466302D+01
      2   0.324324D+01 -0.204110D+01  0.124882D+01 -0.229742D+01  0.193187D+01
      3  -0.126808D+02  0.423887D+00  0.981450D+00  0.358184D+01 -0.659488D+01
      4  -0.979255D+00  0.166431D+01 -0.719271D+00  0.140709D+01 -0.101281D+01
      5   0.310428D+01  0.277767D+01  0.893095D+00  0.162484D+01  0.694683D+01
      6   0.193144D+01 -0.947289D+00 -0.892961D+00  0.365491D+01  0.424557D+00
               161           162           163           164           165 
      1  -0.856356D+00 -0.367606D+01  0.743503D+01  0.266922D+01  0.691056D+00
      2  -0.996957D+00 -0.261308D+01 -0.112055D+02 -0.441232D+01 -0.120121D+02
      3   0.185331D+01  0.628914D+01  0.377048D+01  0.174309D+01  0.113210D+02
      4  -0.496758D+00  0.116178D+01  0.582404D+01  0.657084D+01  0.426299D+01
      5   0.351612D+00 -0.360410D+01  0.177934D+02  0.731856D+01  0.211628D+02
      6   0.315859D+01  0.104464D+01  0.548304D+01  0.695143D+01  0.507337D+01
               166           167           168           169           170 
      1   0.444540D+01 -0.242451D+01 -0.427338D+01  0.978480D+00 -0.215568D+01
      2  -0.708335D+01 -0.192339D+01 -0.103332D+02 -0.971738D+01 -0.578416D+01
      3   0.263795D+01  0.434791D+01  0.146066D+02  0.873891D+01  0.793984D+01
      4   0.725649D+01  0.654135D+01  0.857203D+01  0.280007D+01  0.560613D+01
      5   0.124971D+02  0.110089D+02  0.163027D+02  0.167373D+02  0.794851D+01
      6   0.760292D+01  0.821806D+01  0.131006D+02  0.435666D+01  0.961700D+01
               171           172           173           174           175 
      1  -0.784576D+01  0.238433D+00 -0.988484D+00 -0.192297D+00 -0.112211D+01
      2  -0.171357D+02 -0.200764D+00 -0.113904D+01 -0.212770D+01 -0.165604D+01
      3   0.249815D+02 -0.376688D-01  0.212752D+01  0.232000D+01  0.277815D+01
      4   0.590082D+01 -0.508632D+01  0.861652D+01 -0.370909D+01  0.112601D+02
      5   0.237210D+02  0.511757D+01 -0.485727D+01  0.798143D+01 -0.747654D+01
      6   0.989725D+01 -0.420553D+01  0.590045D+01 -0.287737D+01  0.831390D+01
               176           177           178           179           180 
      1  -0.156845D+02  0.122699D+02 -0.488431D+00  0.672133D+01 -0.702135D+01
      2   0.173259D+02 -0.381759D+01 -0.184678D+01 -0.138207D+01 -0.125152D+01
      3  -0.164147D+01 -0.845235D+01  0.233521D+01 -0.533926D+01  0.827287D+01
      4  -0.214428D+02  0.112908D+02 -0.186217D+01  0.551116D+01 -0.474081D+01
      5   0.128916D+02 -0.102546D+02  0.619643D+01 -0.459869D+01  0.744728D+01
      6  -0.302991D+02  0.221532D+02 -0.263633D+01  0.138917D+02 -0.105232D+02
               181           182           183           184           185 
      1   0.107417D+02  0.254062D+01 -0.887851D+01  0.601155D+01  0.280251D+01
      2  -0.810966D+01 -0.178048D+01  0.647200D+01 -0.426559D+01 -0.737711D+00
      3  -0.263203D+01 -0.760136D+00  0.240651D+01 -0.174596D+01 -0.206480D+01
      4   0.160094D+01  0.453624D+01  0.379941D+00  0.738847D+01 -0.113993D+01
      5  -0.107657D+02 -0.417512D+00  0.153367D+02 -0.193239D+01 -0.322789D+01
      6   0.583541D+00 -0.399498D+00 -0.113522D+01 -0.112357D+01 -0.735760D+00
               186           187           188           189           190 
      1  -0.146993D+00 -0.202872D+02  0.624884D+00  0.892010D+01  0.160598D+02
      2   0.114334D+01  0.149346D+02  0.875668D+00 -0.181439D+02 -0.410321D+01
      3  -0.996349D+00  0.535265D+01 -0.150055D+01  0.922378D+01 -0.119566D+02
      4  -0.347180D+01  0.193031D+01 -0.735182D+01  0.261780D+01 -0.141980D+02
      5   0.593713D+01  0.259837D+02  0.322241D+01 -0.464975D+02  0.376982D+01
      6   0.374298D+01 -0.198077D+01  0.403760D+01  0.431361D+01 -0.926249D+00
               191           192           193           194           195 
      1  -0.940717D+01  0.364231D+01 -0.214334D+02  0.840381D+01  0.367689D+00
      2   0.102846D+01 -0.132250D+01  0.103150D+01  0.160567D+02 -0.237503D+01
      3   0.837870D+01 -0.231981D+01  0.204019D+02 -0.244606D+02  0.200734D+01
      4   0.190002D+02 -0.236181D+01  0.368167D+02 -0.537119D+02  0.864044D+01
      5  -0.173851D+01  0.540448D+01 -0.223241D+01  0.735876D+01 -0.969786D+01
      6   0.523740D+00 -0.642451D+00  0.131337D+01 -0.217769D+01  0.651220D+01
               196           197           198           199           200 
      1   0.867767D+01 -0.646386D+00  0.338627D+01  0.485897D+02  0.153028D+02
      2  -0.272871D+01 -0.197302D+01 -0.127124D+01 -0.251840D+02 -0.835617D+01
      3  -0.594896D+01  0.261940D+01 -0.211503D+01 -0.234057D+02 -0.694661D+01
      4  -0.575297D+01  0.106508D+02 -0.608991D+01  0.154279D+02  0.153384D+02
      5   0.940320D+01 -0.609575D+01  0.254084D+01  0.167240D+02  0.645514D+01
      6  -0.292962D+01  0.552552D+01 -0.261757D+01  0.986781D+00  0.479472D+00
               201           202           203           204           205 
      1   0.151340D+02  0.331232D+02  0.142578D+02  0.805385D+01  0.294249D+02
      2  -0.855946D+01 -0.170208D+02 -0.376355D+01 -0.507143D+01 -0.163219D+02
      3  -0.657455D+01 -0.161024D+02 -0.104943D+02 -0.298242D+01 -0.131031D+02
      4   0.632758D+01  0.227017D+02  0.149738D+02  0.101442D+02  0.862638D+01
      5   0.148352D+02  0.107070D+02  0.924481D+01  0.129442D+02  0.204431D+02
      6  -0.185222D+00  0.191356D+01  0.179846D+01  0.261343D+01  0.123011D+01
               206           207           208           209           210 
      1   0.691475D+01  0.130366D+02 -0.115364D+01  0.147610D+01 -0.177362D+01
      2  -0.466754D+01 -0.107712D+02  0.291501D+01 -0.178407D+01  0.661971D+00
      3  -0.224721D+01 -0.226545D+01 -0.176138D+01  0.307974D+00  0.111165D+01
      4   0.122891D+02  0.791841D+01  0.777427D+00  0.729507D+01 -0.558231D+00
      5   0.813669D+01  0.148661D+02 -0.137696D+01  0.359698D+00  0.308046D+01
      6   0.224594D+01  0.215846D+01 -0.189399D+01  0.557300D+00  0.732595D+00
               211           212           213           214           215 
      1  -0.334397D+00 -0.247218D+02  0.389627D+01 -0.226395D+01  0.116313D+02
      2   0.235021D+01  0.403987D+02 -0.819411D+01 -0.966784D+00 -0.202001D+02
      3  -0.201581D+01 -0.156769D+02  0.429784D+01  0.323073D+01  0.856883D+01
      4   0.679680D+01  0.141598D+02 -0.196737D+01 -0.310687D+01 -0.673620D+01
      5   0.125191D+00 -0.156628D+01  0.272845D+01  0.320585D+01  0.413367D+01
      6  -0.460987D+00 -0.742186D+01  0.776290D+01  0.225331D+01  0.124336D+02
               216           217           218           219           220 
      1  -0.585416D+01  0.323323D+01 -0.285990D+01 -0.175860D+01 -0.245483D+01
      2   0.559870D+01 -0.427764D+01  0.189371D+00 -0.254614D+01  0.168757D+01
      3   0.255463D+00  0.104441D+01  0.267053D+01  0.430475D+01  0.767262D+00
      4   0.487523D+01  0.731344D+01  0.101770D+02  0.890642D+01  0.604162D+01
      5  -0.854360D+00  0.104945D+02  0.811518D+01  0.121259D+02  0.380490D+01
      6  -0.434450D+01  0.693753D+01  0.855300D+01  0.797533D+01  0.523460D+01
               221           222           223           224           225 
      1  -0.107335D+02 -0.641592D+01 -0.155966D+01 -0.106492D+02 -0.171077D+02
      2   0.884401D+01  0.227395D+01 -0.230061D+01 -0.282141D+00 -0.543263D+01
      3   0.188952D+01  0.414197D+01  0.386027D+01  0.109314D+02  0.225403D+02
      4   0.101936D+02  0.739971D+01  0.947100D+01  0.108794D+02  0.139501D+02
      5   0.757339D+01  0.684455D+01  0.120175D+02  0.129693D+02  0.204741D+02
      6   0.115357D+02  0.135598D+02  0.905515D+01  0.208210D+02  0.247728D+02
               226           227           228           229           230 
      1   0.184528D+02 -0.885439D+01 -0.353568D+01 -0.693000D+01 -0.397439D+01
      2  -0.420741D+01 -0.364906D+00  0.178744D+01 -0.217260D+01  0.140738D+02
      3  -0.142454D+02  0.921930D+01  0.174824D+01  0.910259D+01 -0.100994D+02
      4  -0.280008D+02  0.234951D+02  0.101944D+02  0.199153D+02 -0.274156D+02
      5  -0.105134D+02  0.809377D+01  0.964918D+01  0.560380D+01 -0.772909D+01
      6   0.606131D+01 -0.682371D+01 -0.580874D+01 -0.520959D+01  0.934372D+01
               231           232           233           234 
      1  -0.156299D+01 -0.468242D+01  0.888523D+00  0.195344D+01
      2   0.279657D+01  0.171778D+01  0.441823D+01 -0.103100D+01
      3  -0.123358D+01  0.296464D+01 -0.530675D+01 -0.922447D+00
      4  -0.949609D+01  0.120086D+02 -0.151196D+02 -0.676878D+01
      5  -0.622993D+01  0.903448D+01 -0.442154D+01 -0.684169D+01
      6   0.693321D+01 -0.630651D+01  0.427480D+01  0.567625D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120181D+03      0.178089D+02      0.198151D+02
   aniso      0.285279D+02      0.422739D+01      0.470361D+01
   xx         0.134510D+03      0.199323D+02      0.221777D+02
   yx         0.428152D+01      0.634456D+00      0.705928D+00
   yy         0.122653D+03      0.181753D+02      0.202228D+02
   zx         0.376575D+00      0.558026D-01      0.620888D-01
   zy         0.243681D+01      0.361098D+00      0.401776D+00
   zz         0.103379D+03      0.153192D+02      0.170449D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120181D+03      0.178089D+02      0.198151D+02
   aniso      0.285279D+02      0.422739D+01      0.470361D+01
   xx         0.133745D+03      0.198190D+02      0.220516D+02
   yx        -0.110961D+01     -0.164427D+00     -0.182950D+00
   yy         0.112112D+03      0.166133D+02      0.184848D+02
   zx        -0.557447D+01     -0.826051D+00     -0.919106D+00
   zy         0.996568D+01      0.147676D+01      0.164312D+01
   zz         0.114684D+03      0.169945D+02      0.189089D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 SEE YOU NOW,
 YOUR BAIT OF FALSEHOOD TAKES THIS CARP OF TRUTH.
 AND THUS DO WE OF WISDOM AND OF REACH...
 BY INDIRECTIONS FIND DIRECTIONS OUT.    -- HAMLET, II, 1
 Job cpu time:       0 days 16 hours 52 minutes 52.6 seconds.
 Elapsed time:       0 days  2 hours  7 minutes 10.8 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:21:17 2021.
